1-pyrimidin-4-ylpiperidine-4-carboxylic acid;hydrochloride

C10H14ClN3O2 — CID 67239180

IUPAC1-pyrimidin-4-ylpiperidine-4-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CCN(c2ccncn2)CC1
InChIInChI=1S/C10H13N3O2.ClH/c14-10(15)8-2-5-13(6-3-8)9-1-4-11-7-12-9;/h1,4,7-8H,2-3,5-6H2,(H,14,15);1H
InChIKeyBSMKLKICYMATEN-UHFFFAOYSA-N
MW243.69 g/mol
LogP1.20
Rot. Bonds2

About 1-pyrimidin-4-ylpiperidine-4-carboxylic acid;hydrochloride

1-pyrimidin-4-ylpiperidine-4-carboxylic acid;hydrochloride (PubChem CID 67239180) has the molecular formula C10H14ClN3O2 and a molecular weight of 243.69 g/mol. Its IUPAC name is 1-pyrimidin-4-ylpiperidine-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-pyrimidin-4-ylpiperidine-4-carboxylic acid;hydrochloride
PubChem CID67239180
Molecular FormulaC10H14ClN3O2
Molecular Weight243.69 g/mol
Exact Mass243.08
IUPAC Name1-pyrimidin-4-ylpiperidine-4-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CCN(c2ccncn2)CC1
InChIInChI=1S/C10H13N3O2.ClH/c14-10(15)8-2-5-13(6-3-8)9-1-4-11-7-12-9;/h1,4,7-8H,2-3,5-6H2,(H,14,15);1H
InChIKeyBSMKLKICYMATEN-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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Frequently Asked Questions

What is the IUPAC name of 1-pyrimidin-4-ylpiperidine-4-carboxylic acid;hydrochloride?
The IUPAC name of 1-pyrimidin-4-ylpiperidine-4-carboxylic acid;hydrochloride (CID 67239180) is 1-pyrimidin-4-ylpiperidine-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-pyrimidin-4-ylpiperidine-4-carboxylic acid;hydrochloride?
The canonical SMILES for 1-pyrimidin-4-ylpiperidine-4-carboxylic acid;hydrochloride is Cl.O=C(O)C1CCN(c2ccncn2)CC1.
What is the InChIKey of 1-pyrimidin-4-ylpiperidine-4-carboxylic acid;hydrochloride?
The InChIKey is BSMKLKICYMATEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2.ClH/c14-10(15)8-2-5-13(6-3-8)9-1-4-11-7-12-9;/h1,4,7-8H,2-3,5-6H2,(H,14,15);1H.
What are the key properties of 1-pyrimidin-4-ylpiperidine-4-carboxylic acid;hydrochloride?
1-pyrimidin-4-ylpiperidine-4-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-4-ylpiperidine-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 67239180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).