2-(4-chlorophenyl)-2-(4-methylpiperidin-1-yl)acetic acid

C14H18ClNO2 — CID 82345105

IUPAC2-(4-chlorophenyl)-2-(4-methylpiperidin-1-yl)acetic acid
SMILESCC1CCN(C(C(=O)O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H18ClNO2/c1-10-6-8-16(9-7-10)13(14(17)18)11-2-4-12(15)5-3-11/h2-5,10,13H,6-9H2,1H3,(H,17,18)
InChIKeyQBAHCWROEYTVAZ-UHFFFAOYSA-N
MW267.76 g/mol
LogP3.20
Rot. Bonds3

About 2-(4-chlorophenyl)-2-(4-methylpiperidin-1-yl)acetic acid

2-(4-chlorophenyl)-2-(4-methylpiperidin-1-yl)acetic acid (PubChem CID 82345105) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-(4-methylpiperidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-(4-methylpiperidin-1-yl)acetic acid
PubChem CID82345105
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name2-(4-chlorophenyl)-2-(4-methylpiperidin-1-yl)acetic acid
SMILESCC1CCN(C(C(=O)O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H18ClNO2/c1-10-6-8-16(9-7-10)13(14(17)18)11-2-4-12(15)5-3-11/h2-5,10,13H,6-9H2,1H3,(H,17,18)
InChIKeyQBAHCWROEYTVAZ-UHFFFAOYSA-N
XLogP3.20
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methylpiperidin-1-yl)-2-phenylacetic acid chloride
CID 53350421
2-(4-carbamoylpiperidin-1-yl)-2-(4-chlorophenyl)acetic acid
CID 82344904
(2R)-2-(4-chlorophenyl)-N-cyclohexyl-2-(4-methylpiperidin-1-yl)acetamide
CID 94778986
2-(4-chlorophenyl)-2-(4-oxopiperidin-1-yl)acetic acid
CID 82345122
2-(4-chlorophenyl)-2-(2-methylpiperidin-1-yl)acetic acid
CID 82345110
1-[(1R)-1-(4-chlorophenyl)propyl]-4-methylpiperidine
CID 92967683
2-[4-(4-chlorophenyl)piperazin-1-yl]-2-(4-fluorophenyl)acetic acid
CID 75365752
(2S)-2-[4-(4-chlorophenyl)piperazin-1-yl]-2-(4-fluorophenyl)acetic acid
CID 97135003
2-(2,4-difluorophenyl)-2-(4-methylpiperidin-1-yl)acetic acid
CID 84747093
1-(4-chlorophenyl)-1-pyrrolidin-1-ylpropan-2-one
CID 70539121
1-[1-(4-chlorophenyl)propyl]-4-methylpiperidine;hydrochloride
CID 3056499
N-[2-(4-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethyl]propanamide
CID 112504355

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-(4-methylpiperidin-1-yl)acetic acid?
The IUPAC name of 2-(4-chlorophenyl)-2-(4-methylpiperidin-1-yl)acetic acid (CID 82345105) is 2-(4-chlorophenyl)-2-(4-methylpiperidin-1-yl)acetic acid.
What is the SMILES notation for 2-(4-chlorophenyl)-2-(4-methylpiperidin-1-yl)acetic acid?
The canonical SMILES for 2-(4-chlorophenyl)-2-(4-methylpiperidin-1-yl)acetic acid is CC1CCN(C(C(=O)O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-(4-chlorophenyl)-2-(4-methylpiperidin-1-yl)acetic acid?
The InChIKey is QBAHCWROEYTVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-10-6-8-16(9-7-10)13(14(17)18)11-2-4-12(15)5-3-11/h2-5,10,13H,6-9H2,1H3,(H,17,18).
What are the key properties of 2-(4-chlorophenyl)-2-(4-methylpiperidin-1-yl)acetic acid?
2-(4-chlorophenyl)-2-(4-methylpiperidin-1-yl)acetic acid has a molecular weight of 267.76 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-(4-methylpiperidin-1-yl)acetic acid is sourced from PubChem (CID 82345105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).