[2-(methylamino)-3-piperidin-1-ylphenyl]-phenylmethanone

C19H22N2O — CID 173035941

IUPAC[2-(methylamino)-3-piperidin-1-ylphenyl]-phenylmethanone
SMILESCNc1c(C(=O)c2ccccc2)cccc1N1CCCCC1
InChIInChI=1S/C19H22N2O/c1-20-18-16(19(22)15-9-4-2-5-10-15)11-8-12-17(18)21-13-6-3-7-14-21/h2,4-5,8-12,20H,3,6-7,13-14H2,1H3
InChIKeyFSMZPSWXQMBCOJ-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.95
Rot. Bonds4

About [2-(methylamino)-3-piperidin-1-ylphenyl]-phenylmethanone

[2-(methylamino)-3-piperidin-1-ylphenyl]-phenylmethanone (PubChem CID 173035941) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is [2-(methylamino)-3-piperidin-1-ylphenyl]-phenylmethanone.

Molecular Properties

Compound Name[2-(methylamino)-3-piperidin-1-ylphenyl]-phenylmethanone
PubChem CID173035941
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name[2-(methylamino)-3-piperidin-1-ylphenyl]-phenylmethanone
SMILESCNc1c(C(=O)c2ccccc2)cccc1N1CCCCC1
InChIInChI=1S/C19H22N2O/c1-20-18-16(19(22)15-9-4-2-5-10-15)11-8-12-17(18)21-13-6-3-7-14-21/h2,4-5,8-12,20H,3,6-7,13-14H2,1H3
InChIKeyFSMZPSWXQMBCOJ-UHFFFAOYSA-N
XLogP3.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)-3-piperidin-1-ylphenyl]-phenylmethanone?
The IUPAC name of [2-(methylamino)-3-piperidin-1-ylphenyl]-phenylmethanone (CID 173035941) is [2-(methylamino)-3-piperidin-1-ylphenyl]-phenylmethanone.
What is the SMILES notation for [2-(methylamino)-3-piperidin-1-ylphenyl]-phenylmethanone?
The canonical SMILES for [2-(methylamino)-3-piperidin-1-ylphenyl]-phenylmethanone is CNc1c(C(=O)c2ccccc2)cccc1N1CCCCC1.
What is the InChIKey of [2-(methylamino)-3-piperidin-1-ylphenyl]-phenylmethanone?
The InChIKey is FSMZPSWXQMBCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-20-18-16(19(22)15-9-4-2-5-10-15)11-8-12-17(18)21-13-6-3-7-14-21/h2,4-5,8-12,20H,3,6-7,13-14H2,1H3.
What are the key properties of [2-(methylamino)-3-piperidin-1-ylphenyl]-phenylmethanone?
[2-(methylamino)-3-piperidin-1-ylphenyl]-phenylmethanone has a molecular weight of 294.40 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)-3-piperidin-1-ylphenyl]-phenylmethanone is sourced from PubChem (CID 173035941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).