1-(3-phenoxypropyl)piperidine-2-carbaldehyde

C15H21NO2 — CID 62655361

IUPAC1-(3-phenoxypropyl)piperidine-2-carbaldehyde
SMILESO=CC1CCCCN1CCCOc1ccccc1
InChIInChI=1S/C15H21NO2/c17-13-14-7-4-5-10-16(14)11-6-12-18-15-8-2-1-3-9-15/h1-3,8-9,13-14H,4-7,10-12H2
InChIKeyJMXJVKYZFWEYNZ-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.51
Rot. Bonds6

About 1-(3-phenoxypropyl)piperidine-2-carbaldehyde

1-(3-phenoxypropyl)piperidine-2-carbaldehyde (PubChem CID 62655361) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-(3-phenoxypropyl)piperidine-2-carbaldehyde.

Molecular Properties

Compound Name1-(3-phenoxypropyl)piperidine-2-carbaldehyde
PubChem CID62655361
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-(3-phenoxypropyl)piperidine-2-carbaldehyde
SMILESO=CC1CCCCN1CCCOc1ccccc1
InChIInChI=1S/C15H21NO2/c17-13-14-7-4-5-10-16(14)11-6-12-18-15-8-2-1-3-9-15/h1-3,8-9,13-14H,4-7,10-12H2
InChIKeyJMXJVKYZFWEYNZ-UHFFFAOYSA-N
XLogP2.51
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(3-phenoxypropyl)piperidine-2-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(3-methylphenoxy)propyl]piperidine-2-carbaldehyde
CID 62654960
1-(2-phenylsulfanylethyl)piperidine-2-carbaldehyde
CID 62654968
2-(2-bromoethyl)-1-(3-phenoxypropyl)piperidine
CID 80671046
1-(5-phenoxypentyl)piperidine-2-carboxylic acid
CID 122040490
1-[2-(2-methylphenoxy)ethyl]piperidine-2-carbaldehyde
CID 62654078
methane;2-methyl-1-(5-phenoxypentyl)piperidine
CID 158922703
(2S)-2-(methoxymethyl)-1-(3-phenoxypropyl)pyrrolidine
CID 141200367
N-[[1-(3-phenoxypropyl)piperidin-2-yl]methyl]cyclopropanamine
CID 62937477
3-(2-methylpiperidin-1-yl)propyl 2-phenoxyacetate;hydrochloride
CID 138401109
(2S)-1-(2-phenylethyl)pyrrolidine-2-carbaldehyde
CID 89344949
1-(2-pyridin-2-ylethyl)piperidine-2-carbaldehyde
CID 62656596
1-methyl-2-(2-phenoxyethyl)piperidine
CID 23339547

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenoxypropyl)piperidine-2-carbaldehyde?
The IUPAC name of 1-(3-phenoxypropyl)piperidine-2-carbaldehyde (CID 62655361) is 1-(3-phenoxypropyl)piperidine-2-carbaldehyde.
What is the SMILES notation for 1-(3-phenoxypropyl)piperidine-2-carbaldehyde?
The canonical SMILES for 1-(3-phenoxypropyl)piperidine-2-carbaldehyde is O=CC1CCCCN1CCCOc1ccccc1.
What is the InChIKey of 1-(3-phenoxypropyl)piperidine-2-carbaldehyde?
The InChIKey is JMXJVKYZFWEYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c17-13-14-7-4-5-10-16(14)11-6-12-18-15-8-2-1-3-9-15/h1-3,8-9,13-14H,4-7,10-12H2.
What are the key properties of 1-(3-phenoxypropyl)piperidine-2-carbaldehyde?
1-(3-phenoxypropyl)piperidine-2-carbaldehyde has a molecular weight of 247.34 g/mol, XLogP of 2.51, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenoxypropyl)piperidine-2-carbaldehyde is sourced from PubChem (CID 62655361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).