[3-[1-(2,6-dimethylpiperidin-1-yl)propan-2-yl]phenyl]-phenylmethanone

C23H29NO — CID 13409102

IUPAC[3-[1-(2,6-dimethylpiperidin-1-yl)propan-2-yl]phenyl]-phenylmethanone
SMILESCC(CN1C(C)CCCC1C)c1cccc(C(=O)c2ccccc2)c1
InChIInChI=1S/C23H29NO/c1-17(16-24-18(2)9-7-10-19(24)3)21-13-8-14-22(15-21)23(25)20-11-5-4-6-12-20/h4-6,8,11-15,17-19H,7,9-10,16H2,1-3H3
InChIKeyMSOLWIXKJYSHSW-UHFFFAOYSA-N
MW335.49 g/mol
LogP5.28
Rot. Bonds5

About [3-[1-(2,6-dimethylpiperidin-1-yl)propan-2-yl]phenyl]-phenylmethanone

[3-[1-(2,6-dimethylpiperidin-1-yl)propan-2-yl]phenyl]-phenylmethanone (PubChem CID 13409102) has the molecular formula C23H29NO and a molecular weight of 335.49 g/mol. Its IUPAC name is [3-[1-(2,6-dimethylpiperidin-1-yl)propan-2-yl]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[3-[1-(2,6-dimethylpiperidin-1-yl)propan-2-yl]phenyl]-phenylmethanone
PubChem CID13409102
Molecular FormulaC23H29NO
Molecular Weight335.49 g/mol
Exact Mass335.22
IUPAC Name[3-[1-(2,6-dimethylpiperidin-1-yl)propan-2-yl]phenyl]-phenylmethanone
SMILESCC(CN1C(C)CCCC1C)c1cccc(C(=O)c2ccccc2)c1
InChIInChI=1S/C23H29NO/c1-17(16-24-18(2)9-7-10-19(24)3)21-13-8-14-22(15-21)23(25)20-11-5-4-6-12-20/h4-6,8,11-15,17-19H,7,9-10,16H2,1-3H3
InChIKeyMSOLWIXKJYSHSW-UHFFFAOYSA-N
XLogP5.28
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.49
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-[1-(2,6-dimethylpiperidin-1-yl)propan-2-yl]phenyl]-phenylmethanone?
The IUPAC name of [3-[1-(2,6-dimethylpiperidin-1-yl)propan-2-yl]phenyl]-phenylmethanone (CID 13409102) is [3-[1-(2,6-dimethylpiperidin-1-yl)propan-2-yl]phenyl]-phenylmethanone.
What is the SMILES notation for [3-[1-(2,6-dimethylpiperidin-1-yl)propan-2-yl]phenyl]-phenylmethanone?
The canonical SMILES for [3-[1-(2,6-dimethylpiperidin-1-yl)propan-2-yl]phenyl]-phenylmethanone is CC(CN1C(C)CCCC1C)c1cccc(C(=O)c2ccccc2)c1.
What is the InChIKey of [3-[1-(2,6-dimethylpiperidin-1-yl)propan-2-yl]phenyl]-phenylmethanone?
The InChIKey is MSOLWIXKJYSHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO/c1-17(16-24-18(2)9-7-10-19(24)3)21-13-8-14-22(15-21)23(25)20-11-5-4-6-12-20/h4-6,8,11-15,17-19H,7,9-10,16H2,1-3H3.
What are the key properties of [3-[1-(2,6-dimethylpiperidin-1-yl)propan-2-yl]phenyl]-phenylmethanone?
[3-[1-(2,6-dimethylpiperidin-1-yl)propan-2-yl]phenyl]-phenylmethanone has a molecular weight of 335.49 g/mol, XLogP of 5.28, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-(2,6-dimethylpiperidin-1-yl)propan-2-yl]phenyl]-phenylmethanone is sourced from PubChem (CID 13409102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).