1-pyrimidin-2-ylpiperidine-3-carboxylic acid;hydrochloride

C10H14ClN3O2 — CID 45075103

IUPAC1-pyrimidin-2-ylpiperidine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CCCN(c2ncccn2)C1
InChIInChI=1S/C10H13N3O2.ClH/c14-9(15)8-3-1-6-13(7-8)10-11-4-2-5-12-10;/h2,4-5,8H,1,3,6-7H2,(H,14,15);1H
InChIKeyMHRBIUZZQSJFLZ-UHFFFAOYSA-N
MW243.69 g/mol
LogP1.20
Rot. Bonds2

About 1-pyrimidin-2-ylpiperidine-3-carboxylic acid;hydrochloride

1-pyrimidin-2-ylpiperidine-3-carboxylic acid;hydrochloride (PubChem CID 45075103) has the molecular formula C10H14ClN3O2 and a molecular weight of 243.69 g/mol. Its IUPAC name is 1-pyrimidin-2-ylpiperidine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-pyrimidin-2-ylpiperidine-3-carboxylic acid;hydrochloride
PubChem CID45075103
Molecular FormulaC10H14ClN3O2
Molecular Weight243.69 g/mol
Exact Mass243.08
IUPAC Name1-pyrimidin-2-ylpiperidine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CCCN(c2ncccn2)C1
InChIInChI=1S/C10H13N3O2.ClH/c14-9(15)8-3-1-6-13(7-8)10-11-4-2-5-12-10;/h2,4-5,8H,1,3,6-7H2,(H,14,15);1H
InChIKeyMHRBIUZZQSJFLZ-UHFFFAOYSA-N
XLogP1.20
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-cyclopropyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 6557829
[1-(1-pyrimidin-2-ylpiperidine-3-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 134035000
(3R)-N-phenyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 51443831
1-(5-cyclobutylpyrimidin-2-yl)piperidine-3-carboxylic acid
CID 116976080
(3S)-N-cycloheptyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 1452540
(3,5-dimethylpiperidin-1-yl)-(1-pyrimidin-2-ylpiperidin-3-yl)methanone
CID 42952772
(3R)-N-[(2S)-butan-2-yl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 7435435
[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methanone
CID 98762961
2-(1-pyrimidin-2-ylpiperidin-3-yl)acetic acid
CID 62690962
(3S)-N-(benzenesulfonyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 94185832
N-(2-phenylethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 3221429
(3R)-N-[(1R,2R)-2-methylcyclohexyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 7435438

Frequently Asked Questions

What is the IUPAC name of 1-pyrimidin-2-ylpiperidine-3-carboxylic acid;hydrochloride?
The IUPAC name of 1-pyrimidin-2-ylpiperidine-3-carboxylic acid;hydrochloride (CID 45075103) is 1-pyrimidin-2-ylpiperidine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-pyrimidin-2-ylpiperidine-3-carboxylic acid;hydrochloride?
The canonical SMILES for 1-pyrimidin-2-ylpiperidine-3-carboxylic acid;hydrochloride is Cl.O=C(O)C1CCCN(c2ncccn2)C1.
What is the InChIKey of 1-pyrimidin-2-ylpiperidine-3-carboxylic acid;hydrochloride?
The InChIKey is MHRBIUZZQSJFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2.ClH/c14-9(15)8-3-1-6-13(7-8)10-11-4-2-5-12-10;/h2,4-5,8H,1,3,6-7H2,(H,14,15);1H.
What are the key properties of 1-pyrimidin-2-ylpiperidine-3-carboxylic acid;hydrochloride?
1-pyrimidin-2-ylpiperidine-3-carboxylic acid;hydrochloride has a molecular weight of 243.69 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrimidin-2-ylpiperidine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 45075103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).