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

C14H19ClN2O2 — CID 83983228

IUPAC2-amino-2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]acetic acid
SMILESNC(C(=O)O)C1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H19ClN2O2/c15-12-3-1-10(2-4-12)9-17-7-5-11(6-8-17)13(16)14(18)19/h1-4,11,13H,5-9,16H2,(H,18,19)
InChIKeyWHQXDKPABJHGIB-UHFFFAOYSA-N
MW282.77 g/mol
LogP1.96
Rot. Bonds4

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

2-amino-2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]acetic acid (PubChem CID 83983228) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 2-amino-2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]acetic acid
PubChem CID83983228
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name2-amino-2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]acetic acid
SMILESNC(C(=O)O)C1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H19ClN2O2/c15-12-3-1-10(2-4-12)9-17-7-5-11(6-8-17)13(16)14(18)19/h1-4,11,13H,5-9,16H2,(H,18,19)
InChIKeyWHQXDKPABJHGIB-UHFFFAOYSA-N
XLogP1.96
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]acetic acid
CID 83980821
1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]ethanamine
CID 63596526
2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]butanoic acid
CID 83983234
2-amino-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120797287
1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide;oxalic acid
CID 45109747
(2R)-2-amino-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]propanamide
CID 119835947
1-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 83980773
methyl 2-amino-2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetate
CID 83983287
1-[(4-chlorophenyl)methyl]piperidin-4-ol
CID 764482
4-[(4-propan-2-ylpiperidin-1-yl)methyl]benzoic acid
CID 103498140
2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-methylamino]acetic acid
CID 82548263
2-chloro-4-[[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]methyl]benzoic acid
CID 136550473

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-amino-2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]acetic acid (CID 83983228) is 2-amino-2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-amino-2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-amino-2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]acetic acid is NC(C(=O)O)C1CCN(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-amino-2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]acetic acid?
The InChIKey is WHQXDKPABJHGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c15-12-3-1-10(2-4-12)9-17-7-5-11(6-8-17)13(16)14(18)19/h1-4,11,13H,5-9,16H2,(H,18,19).
What are the key properties of 2-amino-2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]acetic acid?
2-amino-2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]acetic acid has a molecular weight of 282.77 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 83983228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).