(4-methylphenyl)-piperidin-4-ylmethanone;hydrochloride

C13H18ClNO — CID 2740817

IUPAC(4-methylphenyl)-piperidin-4-ylmethanone;hydrochloride
SMILESCc1ccc(C(=O)C2CCNCC2)cc1.Cl
InChIInChI=1S/C13H17NO.ClH/c1-10-2-4-11(5-3-10)13(15)12-6-8-14-9-7-12;/h2-5,12,14H,6-9H2,1H3;1H
InChIKeyIQGHJDJWYVPSGM-UHFFFAOYSA-N
MW239.75 g/mol
LogP2.60
Rot. Bonds2

About (4-methylphenyl)-piperidin-4-ylmethanone;hydrochloride

(4-methylphenyl)-piperidin-4-ylmethanone;hydrochloride (PubChem CID 2740817) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is (4-methylphenyl)-piperidin-4-ylmethanone;hydrochloride.

Molecular Properties

Compound Name(4-methylphenyl)-piperidin-4-ylmethanone;hydrochloride
PubChem CID2740817
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name(4-methylphenyl)-piperidin-4-ylmethanone;hydrochloride
SMILESCc1ccc(C(=O)C2CCNCC2)cc1.Cl
InChIInChI=1S/C13H17NO.ClH/c1-10-2-4-11(5-3-10)13(15)12-6-8-14-9-7-12;/h2-5,12,14H,6-9H2,1H3;1H
InChIKeyIQGHJDJWYVPSGM-UHFFFAOYSA-N
XLogP2.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-piperidin-4-ylmethanone;hydrochloride?
The IUPAC name of (4-methylphenyl)-piperidin-4-ylmethanone;hydrochloride (CID 2740817) is (4-methylphenyl)-piperidin-4-ylmethanone;hydrochloride.
What is the SMILES notation for (4-methylphenyl)-piperidin-4-ylmethanone;hydrochloride?
The canonical SMILES for (4-methylphenyl)-piperidin-4-ylmethanone;hydrochloride is Cc1ccc(C(=O)C2CCNCC2)cc1.Cl.
What is the InChIKey of (4-methylphenyl)-piperidin-4-ylmethanone;hydrochloride?
The InChIKey is IQGHJDJWYVPSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO.ClH/c1-10-2-4-11(5-3-10)13(15)12-6-8-14-9-7-12;/h2-5,12,14H,6-9H2,1H3;1H.
What are the key properties of (4-methylphenyl)-piperidin-4-ylmethanone;hydrochloride?
(4-methylphenyl)-piperidin-4-ylmethanone;hydrochloride has a molecular weight of 239.75 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-piperidin-4-ylmethanone;hydrochloride is sourced from PubChem (CID 2740817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).