2-[1-(2-chloro-2-phenylethyl)-4-hydroxypiperidin-4-yl]heptanamide

C20H31ClN2O2 — CID 57182073

IUPAC2-[1-(2-chloro-2-phenylethyl)-4-hydroxypiperidin-4-yl]heptanamide
SMILESCCCCCC(C(N)=O)C1(O)CCN(CC(Cl)c2ccccc2)CC1
InChIInChI=1S/C20H31ClN2O2/c1-2-3-5-10-17(19(22)24)20(25)11-13-23(14-12-20)15-18(21)16-8-6-4-7-9-16/h4,6-9,17-18,25H,2-3,5,10-15H2,1H3,(H2,22,24)
InChIKeyKPKYDSIUMUPZKJ-UHFFFAOYSA-N
MW366.93 g/mol
LogP3.48
Rot. Bonds9

About 2-[1-(2-chloro-2-phenylethyl)-4-hydroxypiperidin-4-yl]heptanamide

2-[1-(2-chloro-2-phenylethyl)-4-hydroxypiperidin-4-yl]heptanamide (PubChem CID 57182073) has the molecular formula C20H31ClN2O2 and a molecular weight of 366.93 g/mol. Its IUPAC name is 2-[1-(2-chloro-2-phenylethyl)-4-hydroxypiperidin-4-yl]heptanamide.

Molecular Properties

Compound Name2-[1-(2-chloro-2-phenylethyl)-4-hydroxypiperidin-4-yl]heptanamide
PubChem CID57182073
Molecular FormulaC20H31ClN2O2
Molecular Weight366.93 g/mol
Exact Mass366.21
IUPAC Name2-[1-(2-chloro-2-phenylethyl)-4-hydroxypiperidin-4-yl]heptanamide
SMILESCCCCCC(C(N)=O)C1(O)CCN(CC(Cl)c2ccccc2)CC1
InChIInChI=1S/C20H31ClN2O2/c1-2-3-5-10-17(19(22)24)20(25)11-13-23(14-12-20)15-18(21)16-8-6-4-7-9-16/h4,6-9,17-18,25H,2-3,5,10-15H2,1H3,(H2,22,24)
InChIKeyKPKYDSIUMUPZKJ-UHFFFAOYSA-N
XLogP3.48
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.93
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[1-(2-chloro-2-phenylethyl)-4-hydroxypiperidin-4-yl]-N-propan-2-ylbutanamide
CID 57303868
ethyl 2-[1-(2-chloro-2-phenylethyl)-4-hydroxypiperidin-4-yl]-2-(4-methylphenyl)acetate
CID 57023331
phenyl 2-[1-(2-chloro-2-phenylethyl)-4-hydroxypiperidin-4-yl]propanoate
CID 57019916
2-phenylheptanamide
CID 67221214
N-cyclohexyl-2-[1-(2-fluoro-2-phenylethyl)-4-hydroxypiperidin-4-yl]butanamide
CID 57164548
ethyl 1-(2,2-diphenylethyl)-4-(2-methoxyethyl)piperidine-4-carboxylate
CID 42567082
3-hydroxy-2-phenyloctanamide
CID 70389819
2-phenyloctadecanoyl chloride
CID 154195260
3-(1-benzyl-4-hydroxypiperidin-4-yl)pentan-2-one
CID 145155415
1-[4-(aminomethyl)-4-phenylpiperidin-1-yl]decan-2-ol
CID 57186486
heptyl 4-amino-1-benzylpiperidine-4-carboxylate
CID 3044646
methyl 2-(1-benzyl-4-hydroxypiperidin-4-yl)butanoate
CID 62394914

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chloro-2-phenylethyl)-4-hydroxypiperidin-4-yl]heptanamide?
The IUPAC name of 2-[1-(2-chloro-2-phenylethyl)-4-hydroxypiperidin-4-yl]heptanamide (CID 57182073) is 2-[1-(2-chloro-2-phenylethyl)-4-hydroxypiperidin-4-yl]heptanamide.
What is the SMILES notation for 2-[1-(2-chloro-2-phenylethyl)-4-hydroxypiperidin-4-yl]heptanamide?
The canonical SMILES for 2-[1-(2-chloro-2-phenylethyl)-4-hydroxypiperidin-4-yl]heptanamide is CCCCCC(C(N)=O)C1(O)CCN(CC(Cl)c2ccccc2)CC1.
What is the InChIKey of 2-[1-(2-chloro-2-phenylethyl)-4-hydroxypiperidin-4-yl]heptanamide?
The InChIKey is KPKYDSIUMUPZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31ClN2O2/c1-2-3-5-10-17(19(22)24)20(25)11-13-23(14-12-20)15-18(21)16-8-6-4-7-9-16/h4,6-9,17-18,25H,2-3,5,10-15H2,1H3,(H2,22,24).
What are the key properties of 2-[1-(2-chloro-2-phenylethyl)-4-hydroxypiperidin-4-yl]heptanamide?
2-[1-(2-chloro-2-phenylethyl)-4-hydroxypiperidin-4-yl]heptanamide has a molecular weight of 366.93 g/mol, XLogP of 3.48, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chloro-2-phenylethyl)-4-hydroxypiperidin-4-yl]heptanamide is sourced from PubChem (CID 57182073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).