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

C15H21ClN2O2 — CID 82548263

IUPAC2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-methylamino]acetic acid
SMILESCN(CC(=O)O)C1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H21ClN2O2/c1-17(11-15(19)20)14-6-8-18(9-7-14)10-12-2-4-13(16)5-3-12/h2-5,14H,6-11H2,1H3,(H,19,20)
InChIKeyKNCOZOXMEGMSGF-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.32
Rot. Bonds5

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

2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-methylamino]acetic acid (PubChem CID 82548263) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-methylamino]acetic acid
PubChem CID82548263
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-methylamino]acetic acid
SMILESCN(CC(=O)O)C1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H21ClN2O2/c1-17(11-15(19)20)14-6-8-18(9-7-14)10-12-2-4-13(16)5-3-12/h2-5,14H,6-11H2,1H3,(H,19,20)
InChIKeyKNCOZOXMEGMSGF-UHFFFAOYSA-N
XLogP2.32
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-[[4-(4-chlorophenyl)phenyl]methyl]piperidin-4-yl]-methylamino]acetic acid
CID 122042922
2-[[1-[(4-iodophenyl)methyl]piperidin-4-yl]-methylamino]acetic acid
CID 122042871
2-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-methylamino]acetic acid
CID 82548256
2-[methyl-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]amino]acetic acid
CID 122042974
2-[[1-[[2-(4-chlorophenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]-methylamino]acetic acid
CID 122042923
2-[[1-[(5-chloro-2-fluorophenyl)methyl]azepan-4-yl]-methylamino]acetic acid
CID 122043538
2-[methyl-[1-[(3-methylphenyl)methyl]piperidin-4-yl]amino]acetic acid
CID 82548262
N-benzyl-1-[(4-chlorophenyl)methyl]-N-methylpiperidin-4-amine
CID 806863
2-[[1-[(4-chloro-2,6-dimethylphenyl)methyl]azepan-4-yl]-methylamino]acetic acid
CID 122043546
2-[methyl-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]amino]acetic acid
CID 122042964
N-benzyl-1-[(4-chlorophenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 1076471
2-[[1-[(3-chloro-5-ethoxy-4-propoxyphenyl)methyl]piperidin-4-yl]-methylamino]acetic acid
CID 122042957

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-methylamino]acetic acid?
The IUPAC name of 2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-methylamino]acetic acid (CID 82548263) is 2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-methylamino]acetic acid?
The canonical SMILES for 2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-methylamino]acetic acid is CN(CC(=O)O)C1CCN(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-methylamino]acetic acid?
The InChIKey is KNCOZOXMEGMSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-17(11-15(19)20)14-6-8-18(9-7-14)10-12-2-4-13(16)5-3-12/h2-5,14H,6-11H2,1H3,(H,19,20).
What are the key properties of 2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-methylamino]acetic acid?
2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-methylamino]acetic acid has a molecular weight of 296.80 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-methylamino]acetic acid is sourced from PubChem (CID 82548263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).