1-(4-chlorophenyl)-2,2-dimethylpiperidine-4-carboxylic acid

C14H18ClNO2 — CID 117020355

IUPAC1-(4-chlorophenyl)-2,2-dimethylpiperidine-4-carboxylic acid
SMILESCC1(C)CC(C(=O)O)CCN1c1ccc(Cl)cc1
InChIInChI=1S/C14H18ClNO2/c1-14(2)9-10(13(17)18)7-8-16(14)12-5-3-11(15)4-6-12/h3-6,10H,7-9H2,1-2H3,(H,17,18)
InChIKeyIYEVZANAXFDMNF-UHFFFAOYSA-N
MW267.76 g/mol
LogP3.42
Rot. Bonds2

About 1-(4-chlorophenyl)-2,2-dimethylpiperidine-4-carboxylic acid

1-(4-chlorophenyl)-2,2-dimethylpiperidine-4-carboxylic acid (PubChem CID 117020355) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2,2-dimethylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2,2-dimethylpiperidine-4-carboxylic acid
PubChem CID117020355
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name1-(4-chlorophenyl)-2,2-dimethylpiperidine-4-carboxylic acid
SMILESCC1(C)CC(C(=O)O)CCN1c1ccc(Cl)cc1
InChIInChI=1S/C14H18ClNO2/c1-14(2)9-10(13(17)18)7-8-16(14)12-5-3-11(15)4-6-12/h3-6,10H,7-9H2,1-2H3,(H,17,18)
InChIKeyIYEVZANAXFDMNF-UHFFFAOYSA-N
XLogP3.42
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(4-chlorophenyl)-2,2-dimethylpyrrolidin-3-yl]acetic acid
CID 117017368
methyl 1-(4-chlorophenyl)-2,2-dimethylpyrrolidine-3-carboxylate
CID 117022975
1-(3-chlorophenyl)-5,5-dimethylpyrrolidine-3-carboxylic acid
CID 117018414
[(1S,2S)-2-aminocyclopentyl]-[4-(4-chlorophenyl)-3,3-dimethylpiperazin-1-yl]methanone
CID 69066640
(3R)-1-[(1S)-1-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 124677629
1-(4-chlorophenyl)-6,6-dimethylpiperidin-3-ol
CID 117020860
1-(4-chlorophenyl)-6-oxopiperidine-3-carboxylic acid
CID 10422408
(3R)-1-(4-chlorophenyl)-N-methylpyrrolidine-3-carboxamide
CID 134288449
(2R,3S)-1-(4-chlorophenyl)-2-methylpyrrolidine-3-carboxylic acid
CID 96591785
(2S)-1-(4-chlorophenyl)piperidine-2-carboxylic acid
CID 58564077
1-(4-chlorobenzoyl)-2-methylpiperidine-4-carboxylic acid
CID 106741708
1-[2-(4-chlorophenyl)propanoyl]piperidine-4-carboxylic acid
CID 154842275

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2,2-dimethylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(4-chlorophenyl)-2,2-dimethylpiperidine-4-carboxylic acid (CID 117020355) is 1-(4-chlorophenyl)-2,2-dimethylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(4-chlorophenyl)-2,2-dimethylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(4-chlorophenyl)-2,2-dimethylpiperidine-4-carboxylic acid is CC1(C)CC(C(=O)O)CCN1c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2,2-dimethylpiperidine-4-carboxylic acid?
The InChIKey is IYEVZANAXFDMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-14(2)9-10(13(17)18)7-8-16(14)12-5-3-11(15)4-6-12/h3-6,10H,7-9H2,1-2H3,(H,17,18).
What are the key properties of 1-(4-chlorophenyl)-2,2-dimethylpiperidine-4-carboxylic acid?
1-(4-chlorophenyl)-2,2-dimethylpiperidine-4-carboxylic acid has a molecular weight of 267.76 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2,2-dimethylpiperidine-4-carboxylic acid is sourced from PubChem (CID 117020355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).