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

C14H18ClNO2 — CID 54899444

IUPAC2-[1-[(4-chlorophenyl)methyl]piperidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCCN1Cc1ccc(Cl)cc1
InChIInChI=1S/C14H18ClNO2/c15-12-6-4-11(5-7-12)10-16-8-2-1-3-13(16)9-14(17)18/h4-7,13H,1-3,8-10H2,(H,17,18)
InChIKeyGEECCCIYHKVCFF-UHFFFAOYSA-N
MW267.76 g/mol
LogP3.17
Rot. Bonds4

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

2-[1-[(4-chlorophenyl)methyl]piperidin-2-yl]acetic acid (PubChem CID 54899444) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 2-[1-[(4-chlorophenyl)methyl]piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(4-chlorophenyl)methyl]piperidin-2-yl]acetic acid
PubChem CID54899444
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name2-[1-[(4-chlorophenyl)methyl]piperidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCCN1Cc1ccc(Cl)cc1
InChIInChI=1S/C14H18ClNO2/c15-12-6-4-11(5-7-12)10-16-8-2-1-3-13(16)9-14(17)18/h4-7,13H,1-3,8-10H2,(H,17,18)
InChIKeyGEECCCIYHKVCFF-UHFFFAOYSA-N
XLogP3.17
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(4-fluorophenyl)methyl]piperidin-2-yl]acetic acid
CID 54899816
2-[1-[(3-bromo-4-chlorophenyl)methyl]piperidin-2-yl]acetic acid
CID 83240966
2-[1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-2-yl]acetic acid
CID 61370725
2-(chloromethyl)-1-[(4-chlorophenyl)methyl]piperidine
CID 63386616
[1-[(4-chlorophenyl)methyl]piperidin-2-yl]methanamine
CID 23074040
2-[1-[(5-chloro-2-fluorophenyl)methyl]pyrrolidin-2-yl]acetic acid
CID 114866950
2-[(2S)-1-benzylazetidin-2-yl]acetic acid
CID 118703240
2-[1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]acetic acid
CID 61372500
2-[4-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]phenyl]acetic acid
CID 105345630
2-[1-[(2,3,6-trichlorophenyl)methyl]pyrrolidin-2-yl]acetic acid
CID 82183336
2-[1-(quinolin-6-ylmethyl)piperidin-2-yl]acetic acid
CID 61010277
2-(bromomethyl)-1-[(4-chlorophenyl)methyl]pyrrolidine
CID 80676168

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-chlorophenyl)methyl]piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[(4-chlorophenyl)methyl]piperidin-2-yl]acetic acid (CID 54899444) is 2-[1-[(4-chlorophenyl)methyl]piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[(4-chlorophenyl)methyl]piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[(4-chlorophenyl)methyl]piperidin-2-yl]acetic acid is O=C(O)CC1CCCCN1Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[1-[(4-chlorophenyl)methyl]piperidin-2-yl]acetic acid?
The InChIKey is GEECCCIYHKVCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c15-12-6-4-11(5-7-12)10-16-8-2-1-3-13(16)9-14(17)18/h4-7,13H,1-3,8-10H2,(H,17,18).
What are the key properties of 2-[1-[(4-chlorophenyl)methyl]piperidin-2-yl]acetic acid?
2-[1-[(4-chlorophenyl)methyl]piperidin-2-yl]acetic acid has a molecular weight of 267.76 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-chlorophenyl)methyl]piperidin-2-yl]acetic acid is sourced from PubChem (CID 54899444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).