3-(cyclopropylmethyl)-1-pyridin-4-ylpiperidine-3-carboxylic acid;hydrochloride

C15H21ClN2O2 — CID 154899041

IUPAC3-(cyclopropylmethyl)-1-pyridin-4-ylpiperidine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1(CC2CC2)CCCN(c2ccncc2)C1
InChIInChI=1S/C15H20N2O2.ClH/c18-14(19)15(10-12-2-3-12)6-1-9-17(11-15)13-4-7-16-8-5-13;/h4-5,7-8,12H,1-3,6,9-11H2,(H,18,19);1H
InChIKeyYGZGWNMRDIATLV-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.97
Rot. Bonds4

About 3-(cyclopropylmethyl)-1-pyridin-4-ylpiperidine-3-carboxylic acid;hydrochloride

3-(cyclopropylmethyl)-1-pyridin-4-ylpiperidine-3-carboxylic acid;hydrochloride (PubChem CID 154899041) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-1-pyridin-4-ylpiperidine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-1-pyridin-4-ylpiperidine-3-carboxylic acid;hydrochloride
PubChem CID154899041
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name3-(cyclopropylmethyl)-1-pyridin-4-ylpiperidine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1(CC2CC2)CCCN(c2ccncc2)C1
InChIInChI=1S/C15H20N2O2.ClH/c18-14(19)15(10-12-2-3-12)6-1-9-17(11-15)13-4-7-16-8-5-13;/h4-5,7-8,12H,1-3,6,9-11H2,(H,18,19);1H
InChIKeyYGZGWNMRDIATLV-UHFFFAOYSA-N
XLogP2.97
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-1-pyridin-4-ylpyrrolidine-3-carboxylic acid
CID 63147374
(3R)-3-(cyclopropylmethyl)-1-(3,6-dimethylpyrazin-2-yl)piperidine-3-carboxylic acid
CID 97109969
(3R)-3-(cyclopropylmethyl)-1-(4-imidazol-1-ylbenzoyl)piperidine-3-carboxylic acid
CID 97118475
(3R)-3-(cyclopropylmethyl)-1-[4-(4-methylpiperazin-1-yl)benzoyl]piperidine-3-carboxylic acid
CID 97110078
(3S)-3-(cyclopropylmethyl)-1-(thiophen-2-ylmethyl)piperidine-3-carboxylic acid
CID 97150633
(3R)-1-[(2-amino-3-pyridinyl)methyl]-3-(cyclopropylmethyl)piperidine-3-carboxylic acid
CID 97119136
1-(2-carbamoyl-4-pyridinyl)-3-ethylpiperidine-3-carboxylic acid
CID 63136488
4-(aminomethyl)-1-pyridin-4-ylpiperidine-4-carboxylic acid
CID 18536528
2-(1-pyridin-4-ylpiperidin-4-yl)acetyl chloride;hydrochloride
CID 22721805
1-(4-carbamoylphenyl)-3-ethylpiperidine-3-carboxylic acid
CID 63136354
(3R)-3-(3-methoxypropyl)-1-(2-methyl-4-pyridinyl)piperidine-3-carboxylic acid
CID 97140737
(3S)-1-[2-(benzylamino)-2-oxoethyl]-3-(cyclopropylmethyl)piperidine-3-carboxylic acid
CID 97155939

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-1-pyridin-4-ylpiperidine-3-carboxylic acid;hydrochloride?
The IUPAC name of 3-(cyclopropylmethyl)-1-pyridin-4-ylpiperidine-3-carboxylic acid;hydrochloride (CID 154899041) is 3-(cyclopropylmethyl)-1-pyridin-4-ylpiperidine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 3-(cyclopropylmethyl)-1-pyridin-4-ylpiperidine-3-carboxylic acid;hydrochloride?
The canonical SMILES for 3-(cyclopropylmethyl)-1-pyridin-4-ylpiperidine-3-carboxylic acid;hydrochloride is Cl.O=C(O)C1(CC2CC2)CCCN(c2ccncc2)C1.
What is the InChIKey of 3-(cyclopropylmethyl)-1-pyridin-4-ylpiperidine-3-carboxylic acid;hydrochloride?
The InChIKey is YGZGWNMRDIATLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2.ClH/c18-14(19)15(10-12-2-3-12)6-1-9-17(11-15)13-4-7-16-8-5-13;/h4-5,7-8,12H,1-3,6,9-11H2,(H,18,19);1H.
What are the key properties of 3-(cyclopropylmethyl)-1-pyridin-4-ylpiperidine-3-carboxylic acid;hydrochloride?
3-(cyclopropylmethyl)-1-pyridin-4-ylpiperidine-3-carboxylic acid;hydrochloride has a molecular weight of 296.80 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-1-pyridin-4-ylpiperidine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 154899041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).