[3-(2-methylpropyl)phenyl]-piperidin-4-ylmethanone

C16H23NO — CID 116547715

IUPAC[3-(2-methylpropyl)phenyl]-piperidin-4-ylmethanone
SMILESCC(C)Cc1cccc(C(=O)C2CCNCC2)c1
InChIInChI=1S/C16H23NO/c1-12(2)10-13-4-3-5-15(11-13)16(18)14-6-8-17-9-7-14/h3-5,11-12,14,17H,6-10H2,1-2H3
InChIKeyQZINYLWXKNGIQV-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.07
Rot. Bonds4

About [3-(2-methylpropyl)phenyl]-piperidin-4-ylmethanone

[3-(2-methylpropyl)phenyl]-piperidin-4-ylmethanone (PubChem CID 116547715) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is [3-(2-methylpropyl)phenyl]-piperidin-4-ylmethanone.

Molecular Properties

Compound Name[3-(2-methylpropyl)phenyl]-piperidin-4-ylmethanone
PubChem CID116547715
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name[3-(2-methylpropyl)phenyl]-piperidin-4-ylmethanone
SMILESCC(C)Cc1cccc(C(=O)C2CCNCC2)c1
InChIInChI=1S/C16H23NO/c1-12(2)10-13-4-3-5-15(11-13)16(18)14-6-8-17-9-7-14/h3-5,11-12,14,17H,6-10H2,1-2H3
InChIKeyQZINYLWXKNGIQV-UHFFFAOYSA-N
XLogP3.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(2-methylpropyl)phenyl]-piperidin-4-ylmethanone?
The IUPAC name of [3-(2-methylpropyl)phenyl]-piperidin-4-ylmethanone (CID 116547715) is [3-(2-methylpropyl)phenyl]-piperidin-4-ylmethanone.
What is the SMILES notation for [3-(2-methylpropyl)phenyl]-piperidin-4-ylmethanone?
The canonical SMILES for [3-(2-methylpropyl)phenyl]-piperidin-4-ylmethanone is CC(C)Cc1cccc(C(=O)C2CCNCC2)c1.
What is the InChIKey of [3-(2-methylpropyl)phenyl]-piperidin-4-ylmethanone?
The InChIKey is QZINYLWXKNGIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-12(2)10-13-4-3-5-15(11-13)16(18)14-6-8-17-9-7-14/h3-5,11-12,14,17H,6-10H2,1-2H3.
What are the key properties of [3-(2-methylpropyl)phenyl]-piperidin-4-ylmethanone?
[3-(2-methylpropyl)phenyl]-piperidin-4-ylmethanone has a molecular weight of 245.37 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methylpropyl)phenyl]-piperidin-4-ylmethanone is sourced from PubChem (CID 116547715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).