1-(3-methylpiperidin-1-yl)-3-phenylpropan-1-one

C15H21NO — CID 2891223

IUPAC1-(3-methylpiperidin-1-yl)-3-phenylpropan-1-one
SMILESCC1CCCN(C(=O)CCc2ccccc2)C1
InChIInChI=1S/C15H21NO/c1-13-6-5-11-16(12-13)15(17)10-9-14-7-3-2-4-8-14/h2-4,7-8,13H,5-6,9-12H2,1H3
InChIKeyOXWXZIOXNXGEQV-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.88
Rot. Bonds3

About 1-(3-methylpiperidin-1-yl)-3-phenylpropan-1-one

1-(3-methylpiperidin-1-yl)-3-phenylpropan-1-one (PubChem CID 2891223) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-(3-methylpiperidin-1-yl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-(3-methylpiperidin-1-yl)-3-phenylpropan-1-one
PubChem CID2891223
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-(3-methylpiperidin-1-yl)-3-phenylpropan-1-one
SMILESCC1CCCN(C(=O)CCc2ccccc2)C1
InChIInChI=1S/C15H21NO/c1-13-6-5-11-16(12-13)15(17)10-9-14-7-3-2-4-8-14/h2-4,7-8,13H,5-6,9-12H2,1H3
InChIKeyOXWXZIOXNXGEQV-UHFFFAOYSA-N
XLogP2.88
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylpiperidin-1-yl)-3-phenylpropan-1-one?
The IUPAC name of 1-(3-methylpiperidin-1-yl)-3-phenylpropan-1-one (CID 2891223) is 1-(3-methylpiperidin-1-yl)-3-phenylpropan-1-one.
What is the SMILES notation for 1-(3-methylpiperidin-1-yl)-3-phenylpropan-1-one?
The canonical SMILES for 1-(3-methylpiperidin-1-yl)-3-phenylpropan-1-one is CC1CCCN(C(=O)CCc2ccccc2)C1.
What is the InChIKey of 1-(3-methylpiperidin-1-yl)-3-phenylpropan-1-one?
The InChIKey is OXWXZIOXNXGEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-13-6-5-11-16(12-13)15(17)10-9-14-7-3-2-4-8-14/h2-4,7-8,13H,5-6,9-12H2,1H3.
What are the key properties of 1-(3-methylpiperidin-1-yl)-3-phenylpropan-1-one?
1-(3-methylpiperidin-1-yl)-3-phenylpropan-1-one has a molecular weight of 231.34 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylpiperidin-1-yl)-3-phenylpropan-1-one is sourced from PubChem (CID 2891223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).