1-[(1-benzyl-4-phenylpiperidin-4-yl)amino]cyclobutane-1-carbaldehyde

C23H28N2O — CID 174309870

IUPAC1-[(1-benzyl-4-phenylpiperidin-4-yl)amino]cyclobutane-1-carbaldehyde
SMILESO=CC1(NC2(c3ccccc3)CCN(Cc3ccccc3)CC2)CCC1
InChIInChI=1S/C23H28N2O/c26-19-22(12-7-13-22)24-23(21-10-5-2-6-11-21)14-16-25(17-15-23)18-20-8-3-1-4-9-20/h1-6,8-11,19,24H,7,12-18H2
InChIKeyZPFGYHKIAXMTCR-UHFFFAOYSA-N
MW348.49 g/mol
LogP3.89
Rot. Bonds6

About 1-[(1-benzyl-4-phenylpiperidin-4-yl)amino]cyclobutane-1-carbaldehyde

1-[(1-benzyl-4-phenylpiperidin-4-yl)amino]cyclobutane-1-carbaldehyde (PubChem CID 174309870) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is 1-[(1-benzyl-4-phenylpiperidin-4-yl)amino]cyclobutane-1-carbaldehyde.

Molecular Properties

Compound Name1-[(1-benzyl-4-phenylpiperidin-4-yl)amino]cyclobutane-1-carbaldehyde
PubChem CID174309870
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC Name1-[(1-benzyl-4-phenylpiperidin-4-yl)amino]cyclobutane-1-carbaldehyde
SMILESO=CC1(NC2(c3ccccc3)CCN(Cc3ccccc3)CC2)CCC1
InChIInChI=1S/C23H28N2O/c26-19-22(12-7-13-22)24-23(21-10-5-2-6-11-21)14-16-25(17-15-23)18-20-8-3-1-4-9-20/h1-6,8-11,19,24H,7,12-18H2
InChIKeyZPFGYHKIAXMTCR-UHFFFAOYSA-N
XLogP3.89
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]formamide
CID 23538
bis(1-benzyl-4-phenyl-N-(2-phenylethyl)piperidin-4-amine);oxalic acid
CID 173182081
1-benzyl-4-isocyano-4-phenylpiperidine
CID 20812471
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1-benzyl-N-methyl-4-(1,3-thiazol-2-yl)piperidin-4-amine
CID 61331116
(1-benzyl-4-phenylpiperidin-4-yl)methanamine;hydrochloride
CID 170875383
1-benzyl-4-methoxy-4-phenylpiperidine
CID 170986894
1-benzylazepane
CID 10954328
N-[1-benzyl-4-(3-fluorophenyl)piperidin-4-yl]acetamide
CID 68830269
methyl (E)-3-(1-benzyl-4-phenylpiperidin-4-yl)prop-2-enoate
CID 20608997
N-[4-[4-(aminomethyl)phenyl]-1-benzylpiperidin-4-yl]-5-chloropentanamide
CID 174522507
1-benzyl-4-phenylpiperidine-4-carbonitrile;methane
CID 161359636

Frequently Asked Questions

What is the IUPAC name of 1-[(1-benzyl-4-phenylpiperidin-4-yl)amino]cyclobutane-1-carbaldehyde?
The IUPAC name of 1-[(1-benzyl-4-phenylpiperidin-4-yl)amino]cyclobutane-1-carbaldehyde (CID 174309870) is 1-[(1-benzyl-4-phenylpiperidin-4-yl)amino]cyclobutane-1-carbaldehyde.
What is the SMILES notation for 1-[(1-benzyl-4-phenylpiperidin-4-yl)amino]cyclobutane-1-carbaldehyde?
The canonical SMILES for 1-[(1-benzyl-4-phenylpiperidin-4-yl)amino]cyclobutane-1-carbaldehyde is O=CC1(NC2(c3ccccc3)CCN(Cc3ccccc3)CC2)CCC1.
What is the InChIKey of 1-[(1-benzyl-4-phenylpiperidin-4-yl)amino]cyclobutane-1-carbaldehyde?
The InChIKey is ZPFGYHKIAXMTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O/c26-19-22(12-7-13-22)24-23(21-10-5-2-6-11-21)14-16-25(17-15-23)18-20-8-3-1-4-9-20/h1-6,8-11,19,24H,7,12-18H2.
What are the key properties of 1-[(1-benzyl-4-phenylpiperidin-4-yl)amino]cyclobutane-1-carbaldehyde?
1-[(1-benzyl-4-phenylpiperidin-4-yl)amino]cyclobutane-1-carbaldehyde has a molecular weight of 348.49 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-benzyl-4-phenylpiperidin-4-yl)amino]cyclobutane-1-carbaldehyde is sourced from PubChem (CID 174309870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).