2-[2-[4-(phenoxymethyl)piperidin-1-yl]ethyl]pyridine

C19H24N2O — CID 146123829

IUPAC2-[2-[4-(phenoxymethyl)piperidin-1-yl]ethyl]pyridine
SMILESc1ccc(OCC2CCN(CCc3ccccn3)CC2)cc1
InChIInChI=1S/C19H24N2O/c1-2-7-19(8-3-1)22-16-17-9-13-21(14-10-17)15-11-18-6-4-5-12-20-18/h1-8,12,17H,9-11,13-16H2
InChIKeyNROGSHGKRTZNAN-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.42
Rot. Bonds6

About 2-[2-[4-(phenoxymethyl)piperidin-1-yl]ethyl]pyridine

2-[2-[4-(phenoxymethyl)piperidin-1-yl]ethyl]pyridine (PubChem CID 146123829) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-[2-[4-(phenoxymethyl)piperidin-1-yl]ethyl]pyridine.

Molecular Properties

Compound Name2-[2-[4-(phenoxymethyl)piperidin-1-yl]ethyl]pyridine
PubChem CID146123829
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name2-[2-[4-(phenoxymethyl)piperidin-1-yl]ethyl]pyridine
SMILESc1ccc(OCC2CCN(CCc3ccccn3)CC2)cc1
InChIInChI=1S/C19H24N2O/c1-2-7-19(8-3-1)22-16-17-9-13-21(14-10-17)15-11-18-6-4-5-12-20-18/h1-8,12,17H,9-11,13-16H2
InChIKeyNROGSHGKRTZNAN-UHFFFAOYSA-N
XLogP3.42
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[2-[4-(phenoxymethyl)piperidin-1-yl]ethyl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-4-(phenoxymethyl)piperidine
CID 91434819
1-benzyl-4-(phenoxymethyl)piperidine
CID 18919890
N-benzyl-N-methyl-1-(2-pyridin-2-ylethyl)piperidin-4-amine
CID 171910751
methyl 1-(2-pyridin-2-ylethyl)piperidine-4-carboxylate
CID 60648150
cyclopropylmethoxybenzene
CID 12712156
1-methyl-3-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]imidazolidin-2-one
CID 56781047
4-methyl-1-(2-pyridin-2-ylethyl)piperidin-4-ol
CID 80702351
4-[4-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]sulfonylphenyl]benzonitrile
CID 24730995
1-(2-pyridin-2-ylethyl)piperidine-3,4,5-triol
CID 157038979
3-anilino-4-[2-[4-(phenoxymethyl)piperidin-1-yl]ethylamino]cyclobut-3-ene-1,2-dione
CID 11327200
1-(2-pyridin-2-ylethyl)-1,4-diazepane
CID 8022497
phenyl-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone
CID 2090123

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(phenoxymethyl)piperidin-1-yl]ethyl]pyridine?
The IUPAC name of 2-[2-[4-(phenoxymethyl)piperidin-1-yl]ethyl]pyridine (CID 146123829) is 2-[2-[4-(phenoxymethyl)piperidin-1-yl]ethyl]pyridine.
What is the SMILES notation for 2-[2-[4-(phenoxymethyl)piperidin-1-yl]ethyl]pyridine?
The canonical SMILES for 2-[2-[4-(phenoxymethyl)piperidin-1-yl]ethyl]pyridine is c1ccc(OCC2CCN(CCc3ccccn3)CC2)cc1.
What is the InChIKey of 2-[2-[4-(phenoxymethyl)piperidin-1-yl]ethyl]pyridine?
The InChIKey is NROGSHGKRTZNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-2-7-19(8-3-1)22-16-17-9-13-21(14-10-17)15-11-18-6-4-5-12-20-18/h1-8,12,17H,9-11,13-16H2.
What are the key properties of 2-[2-[4-(phenoxymethyl)piperidin-1-yl]ethyl]pyridine?
2-[2-[4-(phenoxymethyl)piperidin-1-yl]ethyl]pyridine has a molecular weight of 296.41 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(phenoxymethyl)piperidin-1-yl]ethyl]pyridine is sourced from PubChem (CID 146123829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).