ethane;2-(1-phenylpiperidin-3-yl)acetaldehyde

C17H29NO — CID 123495598

IUPACethane;2-(1-phenylpiperidin-3-yl)acetaldehyde
SMILESCC.CC.O=CCC1CCCN(c2ccccc2)C1
InChIInChI=1S/C13H17NO.2C2H6/c15-10-8-12-5-4-9-14(11-12)13-6-2-1-3-7-13;2*1-2/h1-3,6-7,10,12H,4-5,8-9,11H2;2*1-2H3
InChIKeyISXZPMUJZHVYFD-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.54
Rot. Bonds3

About ethane;2-(1-phenylpiperidin-3-yl)acetaldehyde

ethane;2-(1-phenylpiperidin-3-yl)acetaldehyde (PubChem CID 123495598) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is ethane;2-(1-phenylpiperidin-3-yl)acetaldehyde.

Molecular Properties

Compound Nameethane;2-(1-phenylpiperidin-3-yl)acetaldehyde
PubChem CID123495598
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Nameethane;2-(1-phenylpiperidin-3-yl)acetaldehyde
SMILESCC.CC.O=CCC1CCCN(c2ccccc2)C1
InChIInChI=1S/C13H17NO.2C2H6/c15-10-8-12-5-4-9-14(11-12)13-6-2-1-3-7-13;2*1-2/h1-3,6-7,10,12H,4-5,8-9,11H2;2*1-2H3
InChIKeyISXZPMUJZHVYFD-UHFFFAOYSA-N
XLogP4.54
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;2-(1-phenylpiperidin-3-yl)acetaldehyde 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

ethane;1-phenyl-3-propylpiperidine
CID 123157098
N-cyclohexyl-N-[2-(1-phenylpiperidin-3-yl)ethyl]formamide
CID 143229397
2-[1-(5,6-dimethyl-2-pyridinyl)piperidin-3-yl]acetaldehyde
CID 143664408
3-methoxy-1-phenylpiperidine
CID 70382121
N-(cyclohexylmethyl)-1-phenylpiperidin-3-amine
CID 83998581
[(3S)-1-phenylpyrrolidin-3-yl]methanol
CID 42258987
N-methyl-1-[(3R)-1-phenylpyrrolidin-3-yl]methanamine
CID 42258344
4-[(3R)-3-(hydroxymethyl)piperidin-1-yl]benzoic acid
CID 94373344
2-[1-(3-chlorophenyl)piperidin-3-yl]ethanamine
CID 83824657
N-methyl-1-(1-phenylpyrrolidin-3-yl)propan-2-amine
CID 83981144
4-(3-ethylpiperidin-1-yl)aniline
CID 43584200
1-[(1-phenylpyrrolidin-3-yl)methyl]piperidine
CID 171069499

Frequently Asked Questions

What is the IUPAC name of ethane;2-(1-phenylpiperidin-3-yl)acetaldehyde?
The IUPAC name of ethane;2-(1-phenylpiperidin-3-yl)acetaldehyde (CID 123495598) is ethane;2-(1-phenylpiperidin-3-yl)acetaldehyde.
What is the SMILES notation for ethane;2-(1-phenylpiperidin-3-yl)acetaldehyde?
The canonical SMILES for ethane;2-(1-phenylpiperidin-3-yl)acetaldehyde is CC.CC.O=CCC1CCCN(c2ccccc2)C1.
What is the InChIKey of ethane;2-(1-phenylpiperidin-3-yl)acetaldehyde?
The InChIKey is ISXZPMUJZHVYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO.2C2H6/c15-10-8-12-5-4-9-14(11-12)13-6-2-1-3-7-13;2*1-2/h1-3,6-7,10,12H,4-5,8-9,11H2;2*1-2H3.
What are the key properties of ethane;2-(1-phenylpiperidin-3-yl)acetaldehyde?
ethane;2-(1-phenylpiperidin-3-yl)acetaldehyde has a molecular weight of 263.43 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(1-phenylpiperidin-3-yl)acetaldehyde is sourced from PubChem (CID 123495598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).