(2S)-2-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]amino]hexanoic acid

C18H27ClN2O2 — CID 122044845

IUPAC(2S)-2-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]amino]hexanoic acid
SMILESCCCC[C@H](NC1CCN(Cc2ccccc2Cl)CC1)C(=O)O
InChIInChI=1S/C18H27ClN2O2/c1-2-3-8-17(18(22)23)20-15-9-11-21(12-10-15)13-14-6-4-5-7-16(14)19/h4-7,15,17,20H,2-3,8-13H2,1H3,(H,22,23)/t17-/m0/s1
InChIKeyFPCFPBSJNLIWQZ-KRWDZBQOSA-N
MW338.88 g/mol
LogP3.54
Rot. Bonds8

About (2S)-2-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]amino]hexanoic acid

(2S)-2-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]amino]hexanoic acid (PubChem CID 122044845) has the molecular formula C18H27ClN2O2 and a molecular weight of 338.88 g/mol. Its IUPAC name is (2S)-2-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]amino]hexanoic acid.

Molecular Properties

Compound Name(2S)-2-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]amino]hexanoic acid
PubChem CID122044845
Molecular FormulaC18H27ClN2O2
Molecular Weight338.88 g/mol
Exact Mass338.18
IUPAC Name(2S)-2-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]amino]hexanoic acid
SMILESCCCC[C@H](NC1CCN(Cc2ccccc2Cl)CC1)C(=O)O
InChIInChI=1S/C18H27ClN2O2/c1-2-3-8-17(18(22)23)20-15-9-11-21(12-10-15)13-14-6-4-5-7-16(14)19/h4-7,15,17,20H,2-3,8-13H2,1H3,(H,22,23)/t17-/m0/s1
InChIKeyFPCFPBSJNLIWQZ-KRWDZBQOSA-N
XLogP3.54
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.88
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)amino]hexanoic acid
CID 122039605
1-[(2-chlorophenyl)methyl]piperidine-4-carboxamide
CID 3889228
1-benzyl-N-[(2S)-hexan-2-yl]piperidin-4-amine
CID 8024741
[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 25250006
[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-cyclopropylmethanone
CID 155674268
(2S)-2-[[1-(4-cyanophenyl)piperidin-4-yl]amino]hexanoic acid
CID 122044649
2-(cyclopropylamino)heptanoic acid
CID 43754511
(2R)-2-[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]amino]-3-phenylpropanoic acid
CID 122037934
1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-3-methylbutan-1-one
CID 155674278
[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-(3,3-dimethylpiperidin-1-yl)methanone
CID 45019436
(2S)-2-[[2-(morpholin-4-ylmethyl)benzoyl]amino]hexanoic acid
CID 120614385
1-[(2-chlorophenyl)methyl]-N-(2-ethylsulfanylphenyl)piperidine-4-carboxamide
CID 46776827

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]amino]hexanoic acid?
The IUPAC name of (2S)-2-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]amino]hexanoic acid (CID 122044845) is (2S)-2-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]amino]hexanoic acid.
What is the SMILES notation for (2S)-2-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]amino]hexanoic acid?
The canonical SMILES for (2S)-2-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]amino]hexanoic acid is CCCC[C@H](NC1CCN(Cc2ccccc2Cl)CC1)C(=O)O.
What is the InChIKey of (2S)-2-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]amino]hexanoic acid?
The InChIKey is FPCFPBSJNLIWQZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H27ClN2O2/c1-2-3-8-17(18(22)23)20-15-9-11-21(12-10-15)13-14-6-4-5-7-16(14)19/h4-7,15,17,20H,2-3,8-13H2,1H3,(H,22,23)/t17-/m0/s1.
What are the key properties of (2S)-2-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]amino]hexanoic acid?
(2S)-2-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]amino]hexanoic acid has a molecular weight of 338.88 g/mol, XLogP of 3.54, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]amino]hexanoic acid is sourced from PubChem (CID 122044845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).