4-amino-1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]pentan-1-one

C17H25ClN2O2 — CID 120562532

IUPAC4-amino-1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]pentan-1-one
SMILESCC(N)CCC(=O)N1CCC(C(O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H25ClN2O2/c1-12(19)2-7-16(21)20-10-8-14(9-11-20)17(22)13-3-5-15(18)6-4-13/h3-6,12,14,17,22H,2,7-11,19H2,1H3
InChIKeyUYCBLPDSGFWJBH-UHFFFAOYSA-N
MW324.85 g/mol
LogP2.74
Rot. Bonds5

About 4-amino-1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]pentan-1-one

4-amino-1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]pentan-1-one (PubChem CID 120562532) has the molecular formula C17H25ClN2O2 and a molecular weight of 324.85 g/mol. Its IUPAC name is 4-amino-1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]pentan-1-one.

Molecular Properties

Compound Name4-amino-1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]pentan-1-one
PubChem CID120562532
Molecular FormulaC17H25ClN2O2
Molecular Weight324.85 g/mol
Exact Mass324.16
IUPAC Name4-amino-1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]pentan-1-one
SMILESCC(N)CCC(=O)N1CCC(C(O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H25ClN2O2/c1-12(19)2-7-16(21)20-10-8-14(9-11-20)17(22)13-3-5-15(18)6-4-13/h3-6,12,14,17,22H,2,7-11,19H2,1H3
InChIKeyUYCBLPDSGFWJBH-UHFFFAOYSA-N
XLogP2.74
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.85
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]propan-1-one
CID 119321782
1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-2-ethoxypropan-1-one
CID 111112283
1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-2-cyclopentylethanone
CID 111112309
(2S)-2-amino-1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-4-methylsulfanylbutan-1-one;hydrochloride
CID 119321787
[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-cyclopropylmethanone
CID 111112276
1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-3-piperidin-3-ylbutan-1-one
CID 119780448
2-amino-1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-2-phenylethanone;hydrochloride
CID 119321789
3-(4-chlorophenyl)-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one
CID 21025482
4-[(4-chlorophenyl)-hydroxymethyl]-N-prop-2-ynylpiperidine-1-carboxamide
CID 111111196
3-(4-chlorophenyl)sulfanyl-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-1-one
CID 115966123
1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)ethanone
CID 138034559
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(4-chlorophenyl)ethanone
CID 63596377

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]pentan-1-one?
The IUPAC name of 4-amino-1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]pentan-1-one (CID 120562532) is 4-amino-1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]pentan-1-one.
What is the SMILES notation for 4-amino-1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]pentan-1-one?
The canonical SMILES for 4-amino-1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]pentan-1-one is CC(N)CCC(=O)N1CCC(C(O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-amino-1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]pentan-1-one?
The InChIKey is UYCBLPDSGFWJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O2/c1-12(19)2-7-16(21)20-10-8-14(9-11-20)17(22)13-3-5-15(18)6-4-13/h3-6,12,14,17,22H,2,7-11,19H2,1H3.
What are the key properties of 4-amino-1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]pentan-1-one?
4-amino-1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]pentan-1-one has a molecular weight of 324.85 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]pentan-1-one is sourced from PubChem (CID 120562532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).