3-(3-phenylpropyl)piperidine-4-carbaldehyde

C15H21NO — CID 174524805

IUPAC3-(3-phenylpropyl)piperidine-4-carbaldehyde
SMILESO=CC1CCNCC1CCCc1ccccc1
InChIInChI=1S/C15H21NO/c17-12-15-9-10-16-11-14(15)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,12,14-16H,4,7-11H2
InChIKeyBJFFMCOBZNUERP-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.43
Rot. Bonds5

About 3-(3-phenylpropyl)piperidine-4-carbaldehyde

3-(3-phenylpropyl)piperidine-4-carbaldehyde (PubChem CID 174524805) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 3-(3-phenylpropyl)piperidine-4-carbaldehyde.

Molecular Properties

Compound Name3-(3-phenylpropyl)piperidine-4-carbaldehyde
PubChem CID174524805
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name3-(3-phenylpropyl)piperidine-4-carbaldehyde
SMILESO=CC1CCNCC1CCCc1ccccc1
InChIInChI=1S/C15H21NO/c17-12-15-9-10-16-11-14(15)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,12,14-16H,4,7-11H2
InChIKeyBJFFMCOBZNUERP-UHFFFAOYSA-N
XLogP2.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3-phenylpropylsulfanyl)piperidine
CID 84754997
3-(2-phenylethyl)piperidine-2-carbaldehyde
CID 174300693
N-[2-(3-phenylpropyl)cyclopropyl]formamide
CID 178170175
trans-(1S,2R)-4-oxo-2-(3-phenylpropyl)cyclopentane-1-carboxylic acid
CID 22819708
2-(3-phenylpropyl)cyclopentane-1,3-dione
CID 25171357
N,2,2-trimethyl-5-phenyl-N-pyrrolidin-3-ylpentanamide;hydrochloride
CID 119550298
(3R,4R)-4-(2-phenylethyl)pyrrolidine-3-carboxylic acid
CID 57367804
6-phenyl-N-piperidin-4-ylhexanamide
CID 154665785
N-(3-phenylpropyl)-2-piperidin-4-ylacetamide
CID 60905850
N,3-dimethyl-N-(2-phenylethyl)piperidin-4-amine
CID 65487041
N-(4-phenylbutyl)piperidin-4-amine
CID 44592823
5-(3-phenylpropyl)bicyclo[2.2.1]hept-1-ene
CID 175443807

Frequently Asked Questions

What is the IUPAC name of 3-(3-phenylpropyl)piperidine-4-carbaldehyde?
The IUPAC name of 3-(3-phenylpropyl)piperidine-4-carbaldehyde (CID 174524805) is 3-(3-phenylpropyl)piperidine-4-carbaldehyde.
What is the SMILES notation for 3-(3-phenylpropyl)piperidine-4-carbaldehyde?
The canonical SMILES for 3-(3-phenylpropyl)piperidine-4-carbaldehyde is O=CC1CCNCC1CCCc1ccccc1.
What is the InChIKey of 3-(3-phenylpropyl)piperidine-4-carbaldehyde?
The InChIKey is BJFFMCOBZNUERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c17-12-15-9-10-16-11-14(15)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,12,14-16H,4,7-11H2.
What are the key properties of 3-(3-phenylpropyl)piperidine-4-carbaldehyde?
3-(3-phenylpropyl)piperidine-4-carbaldehyde has a molecular weight of 231.34 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenylpropyl)piperidine-4-carbaldehyde is sourced from PubChem (CID 174524805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).