1-(1-benzylpiperidin-4-yl)-2-iminoethanone

C14H18N2O — CID 91320991

IUPAC1-(1-benzylpiperidin-4-yl)-2-iminoethanone
SMILES[H]/N=C/C(=O)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C14H18N2O/c15-10-14(17)13-6-8-16(9-7-13)11-12-4-2-1-3-5-12/h1-5,10,13,15H,6-9,11H2/b15-10+
InChIKeySAFOYNUNLCIBPO-XNTDXEJSSA-N
MW230.31 g/mol
LogP2.12
Rot. Bonds4

About 1-(1-benzylpiperidin-4-yl)-2-iminoethanone

1-(1-benzylpiperidin-4-yl)-2-iminoethanone (PubChem CID 91320991) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-(1-benzylpiperidin-4-yl)-2-iminoethanone.

Molecular Properties

Compound Name1-(1-benzylpiperidin-4-yl)-2-iminoethanone
PubChem CID91320991
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name1-(1-benzylpiperidin-4-yl)-2-iminoethanone
SMILES[H]/N=C/C(=O)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C14H18N2O/c15-10-14(17)13-6-8-16(9-7-13)11-12-4-2-1-3-5-12/h1-5,10,13,15H,6-9,11H2/b15-10+
InChIKeySAFOYNUNLCIBPO-XNTDXEJSSA-N
XLogP2.12
TPSA44.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-benzylpiperidine-4-carbonyl chloride
CID 18919767
1-(1-benzylpiperidin-4-yl)ethanone
CID 910923
1-benzylpiperidine-4-carbothioic S-acid
CID 154705821
1-benzyl-5-hydroxyazepane-4-carboxylic acid
CID 83488362
1-(1-benzylpiperidin-4-yl)butane-1,3-dione
CID 82665728
methyl 1-benzylpiperidine-4-carboximidate;dihydrochloride
CID 18670137
1-[(3S)-1-benzylpyrrolidin-3-yl]-2-chloroethanone
CID 164769335
phenyl 1-benzylpiperidine-4-carboxylate;hydrochloride
CID 18919929
1-benzyl-N-prop-2-enylpiperidine-4-carboxamide
CID 25246491
1-(1-benzylpiperidin-4-yl)-2-naphthalen-1-ylethanone
CID 22247948
N-(1-benzylpiperidin-4-yl)-N-methylcarbamoyl chloride
CID 82379735
(1-benzylpyrrolidin-3-yl)-pyrrolidin-1-ylmethanone
CID 67294243

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpiperidin-4-yl)-2-iminoethanone?
The IUPAC name of 1-(1-benzylpiperidin-4-yl)-2-iminoethanone (CID 91320991) is 1-(1-benzylpiperidin-4-yl)-2-iminoethanone.
What is the SMILES notation for 1-(1-benzylpiperidin-4-yl)-2-iminoethanone?
The canonical SMILES for 1-(1-benzylpiperidin-4-yl)-2-iminoethanone is [H]/N=C/C(=O)C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-(1-benzylpiperidin-4-yl)-2-iminoethanone?
The InChIKey is SAFOYNUNLCIBPO-XNTDXEJSSA-N. The full InChI is InChI=1S/C14H18N2O/c15-10-14(17)13-6-8-16(9-7-13)11-12-4-2-1-3-5-12/h1-5,10,13,15H,6-9,11H2/b15-10+.
What are the key properties of 1-(1-benzylpiperidin-4-yl)-2-iminoethanone?
1-(1-benzylpiperidin-4-yl)-2-iminoethanone has a molecular weight of 230.31 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpiperidin-4-yl)-2-iminoethanone is sourced from PubChem (CID 91320991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).