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

C19H21NO — CID 43167857

IUPAC2-(4-benzylpiperidin-1-yl)benzaldehyde
SMILESO=Cc1ccccc1N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C19H21NO/c21-15-18-8-4-5-9-19(18)20-12-10-17(11-13-20)14-16-6-2-1-3-7-16/h1-9,15,17H,10-14H2
InChIKeyOPDDUDOQFFSJCW-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.96
Rot. Bonds4

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

2-(4-benzylpiperidin-1-yl)benzaldehyde (PubChem CID 43167857) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-(4-benzylpiperidin-1-yl)benzaldehyde.

Molecular Properties

Compound Name2-(4-benzylpiperidin-1-yl)benzaldehyde
PubChem CID43167857
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name2-(4-benzylpiperidin-1-yl)benzaldehyde
SMILESO=Cc1ccccc1N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C19H21NO/c21-15-18-8-4-5-9-19(18)20-12-10-17(11-13-20)14-16-6-2-1-3-7-16/h1-9,15,17H,10-14H2
InChIKeyOPDDUDOQFFSJCW-UHFFFAOYSA-N
XLogP3.96
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-ethylpiperidin-1-yl)benzaldehyde
CID 61421010
4-benzyl-1-(2-nitrophenyl)piperidine
CID 7923050
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]benzaldehyde
CID 114798182
4-(4-benzylpiperidin-1-yl)-3-bromopyridine
CID 104778025
N-[2-(4-benzylpiperidin-1-yl)phenyl]propanamide
CID 175142313
4-(4-benzylpiperidin-1-yl)benzoic acid
CID 22730857
cyclopentylmethylbenzene;formamide
CID 174870384
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
4-benzyl-1-(4-methylphenyl)piperidine
CID 101028203
4-(4-benzylpiperidin-1-yl)-3-fluoroaniline
CID 43346322
4-benzyl-1-methylpiperidine;ethane
CID 142009767
4-benzyl-1-[4-(bromomethyl)phenyl]piperidine
CID 107079799

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperidin-1-yl)benzaldehyde?
The IUPAC name of 2-(4-benzylpiperidin-1-yl)benzaldehyde (CID 43167857) is 2-(4-benzylpiperidin-1-yl)benzaldehyde.
What is the SMILES notation for 2-(4-benzylpiperidin-1-yl)benzaldehyde?
The canonical SMILES for 2-(4-benzylpiperidin-1-yl)benzaldehyde is O=Cc1ccccc1N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 2-(4-benzylpiperidin-1-yl)benzaldehyde?
The InChIKey is OPDDUDOQFFSJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c21-15-18-8-4-5-9-19(18)20-12-10-17(11-13-20)14-16-6-2-1-3-7-16/h1-9,15,17H,10-14H2.
What are the key properties of 2-(4-benzylpiperidin-1-yl)benzaldehyde?
2-(4-benzylpiperidin-1-yl)benzaldehyde has a molecular weight of 279.38 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperidin-1-yl)benzaldehyde is sourced from PubChem (CID 43167857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).