(3-methylimidazol-4-yl)-piperidin-4-ylmethanone;hydrochloride

C10H16ClN3O — CID 66687557

IUPAC(3-methylimidazol-4-yl)-piperidin-4-ylmethanone;hydrochloride
SMILESCl.Cn1cncc1C(=O)C1CCNCC1
InChIInChI=1S/C10H15N3O.ClH/c1-13-7-12-6-9(13)10(14)8-2-4-11-5-3-8;/h6-8,11H,2-5H2,1H3;1H
InChIKeyUPELTRCYEDRQEX-UHFFFAOYSA-N
MW229.71 g/mol
LogP1.02
Rot. Bonds2

About (3-methylimidazol-4-yl)-piperidin-4-ylmethanone;hydrochloride

(3-methylimidazol-4-yl)-piperidin-4-ylmethanone;hydrochloride (PubChem CID 66687557) has the molecular formula C10H16ClN3O and a molecular weight of 229.71 g/mol. Its IUPAC name is (3-methylimidazol-4-yl)-piperidin-4-ylmethanone;hydrochloride.

Molecular Properties

Compound Name(3-methylimidazol-4-yl)-piperidin-4-ylmethanone;hydrochloride
PubChem CID66687557
Molecular FormulaC10H16ClN3O
Molecular Weight229.71 g/mol
Exact Mass229.10
IUPAC Name(3-methylimidazol-4-yl)-piperidin-4-ylmethanone;hydrochloride
SMILESCl.Cn1cncc1C(=O)C1CCNCC1
InChIInChI=1S/C10H15N3O.ClH/c1-13-7-12-6-9(13)10(14)8-2-4-11-5-3-8;/h6-8,11H,2-5H2,1H3;1H
InChIKeyUPELTRCYEDRQEX-UHFFFAOYSA-N
XLogP1.02
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-methylimidazol-4-yl)-piperidin-4-ylmethanone;hydrochloride?
The IUPAC name of (3-methylimidazol-4-yl)-piperidin-4-ylmethanone;hydrochloride (CID 66687557) is (3-methylimidazol-4-yl)-piperidin-4-ylmethanone;hydrochloride.
What is the SMILES notation for (3-methylimidazol-4-yl)-piperidin-4-ylmethanone;hydrochloride?
The canonical SMILES for (3-methylimidazol-4-yl)-piperidin-4-ylmethanone;hydrochloride is Cl.Cn1cncc1C(=O)C1CCNCC1.
What is the InChIKey of (3-methylimidazol-4-yl)-piperidin-4-ylmethanone;hydrochloride?
The InChIKey is UPELTRCYEDRQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O.ClH/c1-13-7-12-6-9(13)10(14)8-2-4-11-5-3-8;/h6-8,11H,2-5H2,1H3;1H.
What are the key properties of (3-methylimidazol-4-yl)-piperidin-4-ylmethanone;hydrochloride?
(3-methylimidazol-4-yl)-piperidin-4-ylmethanone;hydrochloride has a molecular weight of 229.71 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylimidazol-4-yl)-piperidin-4-ylmethanone;hydrochloride is sourced from PubChem (CID 66687557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).