N1-(3-(piperidin-1-yl)propyl)benzene-1,2-diamine

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Basic information

CAS: 115581-67-4
Standard SMILES: Nc1ccccc1NCCCN1CCCCC1
InChIKey: IWMNXRQYGIBEDW-UHFFFAOYSA-N
Molecular formula: C14H23N3
Average molar mass: 233.35 g/mol
Monoisotopic mass: 233.18919775

Names & identifiers

Preferred name: N1-(3-(piperidin-1-yl)propyl)benzene-1,2-diamine
IUPAC: 2-N-(3-piperidin-1-ylpropyl)benzene-1,2-diamine

Names & synonyms

115581-67-4N1-(3-(piperidin-1-yl)propyl)benzene-1,2-diamineSCHEMBL11710141SCHEMBL11713412DTXSID10612996IWMNXRQYGIBEDW-UHFFFAOYSA-NDB-352543N-[3-(1-piperidinyl)propyl]-o-phenylenediamineN~1~-[3-(Piperidin-1-yl)propyl]benzene-1,2-diamine

Database identifiers

CAS: 115581-67-4
PubChem CID: 21397152
DTXSID: DTXSID10612996

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 41.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 17
Formal charge: 0
Complexity: 202

Related reactions

5 records

New reaction record

HRID 1414731As productuspto-grants-1977_01

HRID 1414732As reactantuspto-grants-1977_01

HRID 1439366As productuspto-grants-1977_11

HRID 1439367As reactantuspto-grants-1977_11

HRID 2160137As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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