1-(1-benzhydrylcyclohexa-2,4-dien-1-yl)piperidine-3-carboxylic acid

C25H27NO2 — CID 174371604

IUPAC1-(1-benzhydrylcyclohexa-2,4-dien-1-yl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C2(C(c3ccccc3)c3ccccc3)C=CC=CC2)C1
InChIInChI=1S/C25H27NO2/c27-24(28)22-15-10-18-26(19-22)25(16-8-3-9-17-25)23(20-11-4-1-5-12-20)21-13-6-2-7-14-21/h1-9,11-14,16,22-23H,10,15,17-19H2,(H,27,28)
InChIKeyBNPJGBZKKNYOEA-UHFFFAOYSA-N
MW373.50 g/mol
LogP4.87
Rot. Bonds5

About 1-(1-benzhydrylcyclohexa-2,4-dien-1-yl)piperidine-3-carboxylic acid

1-(1-benzhydrylcyclohexa-2,4-dien-1-yl)piperidine-3-carboxylic acid (PubChem CID 174371604) has the molecular formula C25H27NO2 and a molecular weight of 373.50 g/mol. Its IUPAC name is 1-(1-benzhydrylcyclohexa-2,4-dien-1-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1-benzhydrylcyclohexa-2,4-dien-1-yl)piperidine-3-carboxylic acid
PubChem CID174371604
Molecular FormulaC25H27NO2
Molecular Weight373.50 g/mol
Exact Mass373.20
IUPAC Name1-(1-benzhydrylcyclohexa-2,4-dien-1-yl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C2(C(c3ccccc3)c3ccccc3)C=CC=CC2)C1
InChIInChI=1S/C25H27NO2/c27-24(28)22-15-10-18-26(19-22)25(16-8-3-9-17-25)23(20-11-4-1-5-12-20)21-13-6-2-7-14-21/h1-9,11-14,16,22-23H,10,15,17-19H2,(H,27,28)
InChIKeyBNPJGBZKKNYOEA-UHFFFAOYSA-N
XLogP4.87
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-[(S)-carboxy(phenyl)methyl]piperidine-3-carboxylic acid
CID 129430805
1-(2-methyl-1-phenylpropyl)piperidine-3-carboxylic acid
CID 65054275
1-(3-amino-2-phenylpropanoyl)piperidine-3-carboxylic acid
CID 62877152
(3S)-1-(2-phenylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 104591978
1-(3-phenylpentanoyl)piperidine-3-carboxylic acid
CID 119167620
1-(2-phenylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 104592009
1-(3-propan-2-ylphenyl)piperidine-3-carboxylic acid
CID 174980645
(3R)-1-(2-phenylbutanoyl)piperidine-3-carboxylic acid
CID 81119213
1-(2-oxo-3,3-diphenylpropyl)piperidine-3-carboxylic acid;hydrochloride
CID 45261948
1-[phenyl(pyridin-4-yl)methyl]piperidine-3-carboxylic acid
CID 3536798
1-(2-hydroxyphenyl)piperidine-3-carboxylic acid
CID 115032530
(3R)-1-[(2S)-2-(2-oxopiperidin-1-yl)-2-phenylacetyl]piperidine-3-carboxylic acid
CID 99638802

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzhydrylcyclohexa-2,4-dien-1-yl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(1-benzhydrylcyclohexa-2,4-dien-1-yl)piperidine-3-carboxylic acid (CID 174371604) is 1-(1-benzhydrylcyclohexa-2,4-dien-1-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(1-benzhydrylcyclohexa-2,4-dien-1-yl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(1-benzhydrylcyclohexa-2,4-dien-1-yl)piperidine-3-carboxylic acid is O=C(O)C1CCCN(C2(C(c3ccccc3)c3ccccc3)C=CC=CC2)C1.
What is the InChIKey of 1-(1-benzhydrylcyclohexa-2,4-dien-1-yl)piperidine-3-carboxylic acid?
The InChIKey is BNPJGBZKKNYOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO2/c27-24(28)22-15-10-18-26(19-22)25(16-8-3-9-17-25)23(20-11-4-1-5-12-20)21-13-6-2-7-14-21/h1-9,11-14,16,22-23H,10,15,17-19H2,(H,27,28).
What are the key properties of 1-(1-benzhydrylcyclohexa-2,4-dien-1-yl)piperidine-3-carboxylic acid?
1-(1-benzhydrylcyclohexa-2,4-dien-1-yl)piperidine-3-carboxylic acid has a molecular weight of 373.50 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzhydrylcyclohexa-2,4-dien-1-yl)piperidine-3-carboxylic acid is sourced from PubChem (CID 174371604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).