(3S)-1-(2,2-diphenylethyl)piperidine-3-carbaldehyde

C20H23NO — CID 18665738

IUPAC(3S)-1-(2,2-diphenylethyl)piperidine-3-carbaldehyde
SMILESO=C[C@H]1CCCN(CC(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C20H23NO/c22-16-17-8-7-13-21(14-17)15-20(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-6,9-12,16-17,20H,7-8,13-15H2/t17-/m0/s1
InChIKeyIHIWAOIEVACKJC-KRWDZBQOSA-N
MW293.41 g/mol
LogP3.73
Rot. Bonds5

About (3S)-1-(2,2-diphenylethyl)piperidine-3-carbaldehyde

(3S)-1-(2,2-diphenylethyl)piperidine-3-carbaldehyde (PubChem CID 18665738) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is (3S)-1-(2,2-diphenylethyl)piperidine-3-carbaldehyde.

Molecular Properties

Compound Name(3S)-1-(2,2-diphenylethyl)piperidine-3-carbaldehyde
PubChem CID18665738
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC Name(3S)-1-(2,2-diphenylethyl)piperidine-3-carbaldehyde
SMILESO=C[C@H]1CCCN(CC(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C20H23NO/c22-16-17-8-7-13-21(14-17)15-20(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-6,9-12,16-17,20H,7-8,13-15H2/t17-/m0/s1
InChIKeyIHIWAOIEVACKJC-KRWDZBQOSA-N
XLogP3.73
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2,2-diphenylethyl)piperidine-3-carbaldehyde?
The IUPAC name of (3S)-1-(2,2-diphenylethyl)piperidine-3-carbaldehyde (CID 18665738) is (3S)-1-(2,2-diphenylethyl)piperidine-3-carbaldehyde.
What is the SMILES notation for (3S)-1-(2,2-diphenylethyl)piperidine-3-carbaldehyde?
The canonical SMILES for (3S)-1-(2,2-diphenylethyl)piperidine-3-carbaldehyde is O=C[C@H]1CCCN(CC(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of (3S)-1-(2,2-diphenylethyl)piperidine-3-carbaldehyde?
The InChIKey is IHIWAOIEVACKJC-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H23NO/c22-16-17-8-7-13-21(14-17)15-20(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-6,9-12,16-17,20H,7-8,13-15H2/t17-/m0/s1.
What are the key properties of (3S)-1-(2,2-diphenylethyl)piperidine-3-carbaldehyde?
(3S)-1-(2,2-diphenylethyl)piperidine-3-carbaldehyde has a molecular weight of 293.41 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2,2-diphenylethyl)piperidine-3-carbaldehyde is sourced from PubChem (CID 18665738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).