4-benzhydrylpiperidine-1-carbaldehyde

C19H21NO — CID 13093871

IUPAC4-benzhydrylpiperidine-1-carbaldehyde
SMILESO=CN1CCC(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C19H21NO/c21-15-20-13-11-18(12-14-20)19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,15,18-19H,11-14H2
InChIKeyIHQJXDLHKZENCY-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.69
Rot. Bonds4

About 4-benzhydrylpiperidine-1-carbaldehyde

4-benzhydrylpiperidine-1-carbaldehyde (PubChem CID 13093871) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 4-benzhydrylpiperidine-1-carbaldehyde.

Molecular Properties

Compound Name4-benzhydrylpiperidine-1-carbaldehyde
PubChem CID13093871
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name4-benzhydrylpiperidine-1-carbaldehyde
SMILESO=CN1CCC(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C19H21NO/c21-15-20-13-11-18(12-14-20)19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,15,18-19H,11-14H2
InChIKeyIHQJXDLHKZENCY-UHFFFAOYSA-N
XLogP3.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-benzhydrylpiperidine-1-carbaldehyde?
The IUPAC name of 4-benzhydrylpiperidine-1-carbaldehyde (CID 13093871) is 4-benzhydrylpiperidine-1-carbaldehyde.
What is the SMILES notation for 4-benzhydrylpiperidine-1-carbaldehyde?
The canonical SMILES for 4-benzhydrylpiperidine-1-carbaldehyde is O=CN1CCC(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 4-benzhydrylpiperidine-1-carbaldehyde?
The InChIKey is IHQJXDLHKZENCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c21-15-20-13-11-18(12-14-20)19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,15,18-19H,11-14H2.
What are the key properties of 4-benzhydrylpiperidine-1-carbaldehyde?
4-benzhydrylpiperidine-1-carbaldehyde has a molecular weight of 279.38 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzhydrylpiperidine-1-carbaldehyde is sourced from PubChem (CID 13093871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).