3-(N-propylpiperidin-4-yl)phenol

Substructure search Find similar structures

Basic information

CAS: 346688-61-7
Standard SMILES: CCCN1CCC(c2cccc(O)c2)CC1
InChIKey: HPUYFCNUROWQBG-UHFFFAOYSA-N
Molecular formula: C14H21NO
Average molar mass: 219.32 g/mol
Monoisotopic mass: 219.16231429

Names & identifiers

Preferred name: 3-(N-propylpiperidin-4-yl)phenol
IUPAC: 3-(1-propylpiperidin-4-yl)phenol

Names & synonyms

CHEMBL5926183-(N-propylpiperidin-4-yl)phenolSCHEMBL3454031SCHEMBL29914667HPUYFCNUROWQBG-UHFFFAOYSA-NDTXSID8013023543-(1-Propyl-4-piperidinyl)phenol3-(1-propylpiperidin-4-yl)phenolBDBM503080243-(1-propyl-piperidin-4-yl)-phenol346688-61-7PD089289

Database identifiers

CAS: 346688-61-7
PubChem CID: 12988959
DTXSID: DTXSID801302354
ChEMBL: CHEMBL592618

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 23.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 16
Formal charge: 0
Complexity: 199

Related reactions

4 records

New reaction record

HRID 1070714As reactantuspto-grants-2005_06

HRID 1483901As reactantuspto-grants-2016_08

HRID 2220085As reactantuspto-grants-2008_08

HRID 2343684As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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