1-(4-methylpiperidin-1-yl)-4-phenylbutan-1-one

C16H23NO — CID 1122148

IUPAC1-(4-methylpiperidin-1-yl)-4-phenylbutan-1-one
SMILESCC1CCN(C(=O)CCCc2ccccc2)CC1
InChIInChI=1S/C16H23NO/c1-14-10-12-17(13-11-14)16(18)9-5-8-15-6-3-2-4-7-15/h2-4,6-7,14H,5,8-13H2,1H3
InChIKeyGOUQRLNKQBBXDF-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.27
Rot. Bonds4

About 1-(4-methylpiperidin-1-yl)-4-phenylbutan-1-one

1-(4-methylpiperidin-1-yl)-4-phenylbutan-1-one (PubChem CID 1122148) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)-4-phenylbutan-1-one.

Molecular Properties

Compound Name1-(4-methylpiperidin-1-yl)-4-phenylbutan-1-one
PubChem CID1122148
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name1-(4-methylpiperidin-1-yl)-4-phenylbutan-1-one
SMILESCC1CCN(C(=O)CCCc2ccccc2)CC1
InChIInChI=1S/C16H23NO/c1-14-10-12-17(13-11-14)16(18)9-5-8-15-6-3-2-4-7-15/h2-4,6-7,14H,5,8-13H2,1H3
InChIKeyGOUQRLNKQBBXDF-UHFFFAOYSA-N
XLogP3.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chloro-3-methylpiperidin-1-yl)-4-phenylbutan-1-one
CID 114683070
3-[benzyl(methyl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one
CID 109014307
1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-4-phenylbutan-1-one
CID 110891683
N-benzyl-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113118190
1-[4-(2-methylpropylsulfonyl)piperidin-1-yl]-4-phenylbutan-1-one
CID 90590148
3-tert-butyl-1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-1-(2-phenylethyl)urea
CID 42699912
1-[4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]-4-phenylbutan-1-one
CID 71784766
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-phenylbutan-1-one
CID 807657
1-(4-methylpiperidin-1-yl)-2-[4-(2-phenylethyl)piperazin-1-yl]ethanone
CID 134032072
2-[acetyl-[(4R)-1-(4-phenylbutanoyl)azepan-4-yl]amino]acetic acid
CID 129330177
1-[4-(ethylamino)-3-methylpiperidin-1-yl]-4-phenylbutan-1-one
CID 114498565
11-phenyl-1-pyrrolidin-1-ylundecan-1-one
CID 10805309

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidin-1-yl)-4-phenylbutan-1-one?
The IUPAC name of 1-(4-methylpiperidin-1-yl)-4-phenylbutan-1-one (CID 1122148) is 1-(4-methylpiperidin-1-yl)-4-phenylbutan-1-one.
What is the SMILES notation for 1-(4-methylpiperidin-1-yl)-4-phenylbutan-1-one?
The canonical SMILES for 1-(4-methylpiperidin-1-yl)-4-phenylbutan-1-one is CC1CCN(C(=O)CCCc2ccccc2)CC1.
What is the InChIKey of 1-(4-methylpiperidin-1-yl)-4-phenylbutan-1-one?
The InChIKey is GOUQRLNKQBBXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-14-10-12-17(13-11-14)16(18)9-5-8-15-6-3-2-4-7-15/h2-4,6-7,14H,5,8-13H2,1H3.
What are the key properties of 1-(4-methylpiperidin-1-yl)-4-phenylbutan-1-one?
1-(4-methylpiperidin-1-yl)-4-phenylbutan-1-one has a molecular weight of 245.37 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-1-yl)-4-phenylbutan-1-one is sourced from PubChem (CID 1122148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).