[4-(3-methylbutyl)phenyl]-piperidin-4-ylmethanone;hydrochloride

C17H26ClNO — CID 162315237

IUPAC[4-(3-methylbutyl)phenyl]-piperidin-4-ylmethanone;hydrochloride
SMILESCC(C)CCc1ccc(C(=O)C2CCNCC2)cc1.Cl
InChIInChI=1S/C17H25NO.ClH/c1-13(2)3-4-14-5-7-15(8-6-14)17(19)16-9-11-18-12-10-16;/h5-8,13,16,18H,3-4,9-12H2,1-2H3;1H
InChIKeyZQCWVZKLIOVAAE-UHFFFAOYSA-N
MW295.85 g/mol
LogP3.88
Rot. Bonds5

About [4-(3-methylbutyl)phenyl]-piperidin-4-ylmethanone;hydrochloride

[4-(3-methylbutyl)phenyl]-piperidin-4-ylmethanone;hydrochloride (PubChem CID 162315237) has the molecular formula C17H26ClNO and a molecular weight of 295.85 g/mol. Its IUPAC name is [4-(3-methylbutyl)phenyl]-piperidin-4-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[4-(3-methylbutyl)phenyl]-piperidin-4-ylmethanone;hydrochloride
PubChem CID162315237
Molecular FormulaC17H26ClNO
Molecular Weight295.85 g/mol
Exact Mass295.17
IUPAC Name[4-(3-methylbutyl)phenyl]-piperidin-4-ylmethanone;hydrochloride
SMILESCC(C)CCc1ccc(C(=O)C2CCNCC2)cc1.Cl
InChIInChI=1S/C17H25NO.ClH/c1-13(2)3-4-14-5-7-15(8-6-14)17(19)16-9-11-18-12-10-16;/h5-8,13,16,18H,3-4,9-12H2,1-2H3;1H
InChIKeyZQCWVZKLIOVAAE-UHFFFAOYSA-N
XLogP3.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.85
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(2-hydroxyethyl)phenyl]-piperidin-4-ylmethanone
CID 20613864
[4-[[di(propan-2-yl)amino]methyl]phenyl]-piperidin-4-ylmethanone
CID 22628177
(4-hydroxyphenyl)-piperidin-4-ylmethanone;hydrochloride
CID 13180305
[3-(2-methylpropyl)phenyl]-piperidin-4-ylmethanone
CID 116547715
(4-propan-2-ylphenyl)-pyrrolidin-3-ylmethanone
CID 83689928
N-[4-(4-methoxyphenyl)butan-2-yl]piperidine-4-carboxamide;hydrochloride
CID 119288096
(4-propan-2-ylcyclohexyl)-(4-propylphenyl)methanone
CID 65425046
2-[4-(cyclopropanecarbonyl)phenyl]ethyl 2-methylpropanoate
CID 175396158
N-[2-methyl-1-(4-propylphenyl)propyl]piperidine-4-carboxamide
CID 119273047
piperidin-4-yl-(4-propylsulfanylphenyl)methanone
CID 82553748
cyclopropyl-[4-(4-propylphenyl)phenyl]methanone
CID 145118080
azetidin-3-yl-(4-propylphenyl)methanone
CID 116583611

Frequently Asked Questions

What is the IUPAC name of [4-(3-methylbutyl)phenyl]-piperidin-4-ylmethanone;hydrochloride?
The IUPAC name of [4-(3-methylbutyl)phenyl]-piperidin-4-ylmethanone;hydrochloride (CID 162315237) is [4-(3-methylbutyl)phenyl]-piperidin-4-ylmethanone;hydrochloride.
What is the SMILES notation for [4-(3-methylbutyl)phenyl]-piperidin-4-ylmethanone;hydrochloride?
The canonical SMILES for [4-(3-methylbutyl)phenyl]-piperidin-4-ylmethanone;hydrochloride is CC(C)CCc1ccc(C(=O)C2CCNCC2)cc1.Cl.
What is the InChIKey of [4-(3-methylbutyl)phenyl]-piperidin-4-ylmethanone;hydrochloride?
The InChIKey is ZQCWVZKLIOVAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO.ClH/c1-13(2)3-4-14-5-7-15(8-6-14)17(19)16-9-11-18-12-10-16;/h5-8,13,16,18H,3-4,9-12H2,1-2H3;1H.
What are the key properties of [4-(3-methylbutyl)phenyl]-piperidin-4-ylmethanone;hydrochloride?
[4-(3-methylbutyl)phenyl]-piperidin-4-ylmethanone;hydrochloride has a molecular weight of 295.85 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methylbutyl)phenyl]-piperidin-4-ylmethanone;hydrochloride is sourced from PubChem (CID 162315237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).