3-(2-phenylethyl)piperidine-2-carbaldehyde

C14H19NO — CID 174300693

IUPAC3-(2-phenylethyl)piperidine-2-carbaldehyde
SMILESO=CC1NCCCC1CCc1ccccc1
InChIInChI=1S/C14H19NO/c16-11-14-13(7-4-10-15-14)9-8-12-5-2-1-3-6-12/h1-3,5-6,11,13-15H,4,7-10H2
InChIKeyQMHKOYFFRPKGHB-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.19
Rot. Bonds4

About 3-(2-phenylethyl)piperidine-2-carbaldehyde

3-(2-phenylethyl)piperidine-2-carbaldehyde (PubChem CID 174300693) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 3-(2-phenylethyl)piperidine-2-carbaldehyde.

Molecular Properties

Compound Name3-(2-phenylethyl)piperidine-2-carbaldehyde
PubChem CID174300693
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name3-(2-phenylethyl)piperidine-2-carbaldehyde
SMILESO=CC1NCCCC1CCc1ccccc1
InChIInChI=1S/C14H19NO/c16-11-14-13(7-4-10-15-14)9-8-12-5-2-1-3-6-12/h1-3,5-6,11,13-15H,4,7-10H2
InChIKeyQMHKOYFFRPKGHB-UHFFFAOYSA-N
XLogP2.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.19
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

(2S,3S)-2-(2-phenylethyl)piperidin-3-ol
CID 124505625
cis-(1S,2R)-2-(2-phenylethyl)cyclopentan-1-amine
CID 92754802
cis-(1R,2S)-2-(2-phenylethyl)cyclopentan-1-amine
CID 92754803
2-methylpyrrolidine;2-phenyl-N-(2-phenylethyl)ethanamine
CID 67003274
3-(3-phenylpropyl)piperidine-4-carbaldehyde
CID 174524805
4-phenyl-1-[(2S)-pyrrolidin-2-yl]butan-2-one
CID 70184380
3-(2-phenylethyl)piperidin-2-one
CID 10798202
1-[4-(2-phenylethyl)piperidin-1-yl]-2-pyrrolidin-2-ylethanone
CID 119698792
N-benzyl-1-[(2S,3R)-2-methylpiperidin-3-yl]methanamine
CID 143489271
2,5-bis(2-phenylethyl)-7-oxabicyclo[4.1.0]heptane
CID 72711714
(2S,6S)-2-(2-phenylethyl)-6-(3-phenylpropyl)piperidine
CID 44563173
N-[2-(2-phenylethyl)cyclopentyl]prop-2-enamide
CID 146095230

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylethyl)piperidine-2-carbaldehyde?
The IUPAC name of 3-(2-phenylethyl)piperidine-2-carbaldehyde (CID 174300693) is 3-(2-phenylethyl)piperidine-2-carbaldehyde.
What is the SMILES notation for 3-(2-phenylethyl)piperidine-2-carbaldehyde?
The canonical SMILES for 3-(2-phenylethyl)piperidine-2-carbaldehyde is O=CC1NCCCC1CCc1ccccc1.
What is the InChIKey of 3-(2-phenylethyl)piperidine-2-carbaldehyde?
The InChIKey is QMHKOYFFRPKGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c16-11-14-13(7-4-10-15-14)9-8-12-5-2-1-3-6-12/h1-3,5-6,11,13-15H,4,7-10H2.
What are the key properties of 3-(2-phenylethyl)piperidine-2-carbaldehyde?
3-(2-phenylethyl)piperidine-2-carbaldehyde has a molecular weight of 217.31 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylethyl)piperidine-2-carbaldehyde is sourced from PubChem (CID 174300693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).