1-(3-Chloropropyl)piperazine

HCID 577606CAS 120163-60-2

Substructure search Find similar structures

Basic information

Standard SMILES: ClCCCN1CCNCC1
InChIKey: VBWGBXZUJJUARM-UHFFFAOYSA-N
Molecular formula: C7H15ClN2
Average molar mass: 162.66 g/mol
Monoisotopic mass: 162.09237616

Names & identifiers

Preferred name: 1-(3-Chloropropyl)piperazine
IUPAC: 1-(3-chloropropyl)piperazine

Names & synonyms

1-(3-Chloropropyl)piperazine120163-60-2DTXSID80341988RefChem:224355DTXCID70293068VBWGBXZUJJUARM-UHFFFAOYSA-N3-piperazinopropyl chloridechloropropyl piperazineN-(chloropropyl)piperazineSCHEMBL4098624SCHEMBL6475409AKOS006229882

Show more names

DA-14599EN300-7634627

Database identifiers

CAS: 120163-60-2
PubChem CID: 577606
DTXSID: DTXSID80341988
Nikkaji: J231.936E

Properties

Computed structural properties

XLogP: 0.6
Topological polar surface area: 15.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 10
Formal charge: 0
Complexity: 81.7

Related reactions

12 records

New reaction record

HRID 65708As reactantuspto-grants-1978_12

HRID 99071As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 163212As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 413712As reactantuspto-grants-2003_05

HRID 667727As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 957441As reactantValidation data from https://doi.org/10.1039/C8SC04228D

HRID 1214578As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1374590As reactantuspto-grants-2007_01

Linked notes

Loading…