3-methyl-1-(1-phenylethyl)piperidine-2-carbaldehyde

C15H21NO — CID 100994968

IUPAC3-methyl-1-(1-phenylethyl)piperidine-2-carbaldehyde
SMILESCC1CCCN(C(C)c2ccccc2)C1C=O
InChIInChI=1S/C15H21NO/c1-12-7-6-10-16(15(12)11-17)13(2)14-8-4-3-5-9-14/h3-5,8-9,11-13,15H,6-7,10H2,1-2H3
InChIKeyCOPPNYHTAUGGBK-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.05
Rot. Bonds3

About 3-methyl-1-(1-phenylethyl)piperidine-2-carbaldehyde

3-methyl-1-(1-phenylethyl)piperidine-2-carbaldehyde (PubChem CID 100994968) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 3-methyl-1-(1-phenylethyl)piperidine-2-carbaldehyde.

Molecular Properties

Compound Name3-methyl-1-(1-phenylethyl)piperidine-2-carbaldehyde
PubChem CID100994968
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name3-methyl-1-(1-phenylethyl)piperidine-2-carbaldehyde
SMILESCC1CCCN(C(C)c2ccccc2)C1C=O
InChIInChI=1S/C15H21NO/c1-12-7-6-10-16(15(12)11-17)13(2)14-8-4-3-5-9-14/h3-5,8-9,11-13,15H,6-7,10H2,1-2H3
InChIKeyCOPPNYHTAUGGBK-UHFFFAOYSA-N
XLogP3.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.05
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-methyl-1-[(1S)-1-phenylethyl]pyrrolidine
CID 141078428
1-[1-(1-phenylethyl)pyrrolidin-2-yl]propan-2-one
CID 79546242
1-benzyl-3-methylpiperidine-2-carbaldehyde
CID 100994967
1-[(1R)-1-phenylethyl]pyrrolidine-2-carboxamide
CID 140759748
[(2S)-1-(1-phenylethyl)pyrrolidin-2-yl]methanol
CID 66261742
(3R)-3-methyl-1-[(1S)-1-phenylethyl]piperidine
CID 145119255
[1-(1-phenylethyl)azepan-2-yl]methanamine
CID 116640530
methyl (2S)-1-[(1S)-1-phenylethyl]pyrrolidine-2-carboxylate
CID 11234448
2-methyl-1-(1-phenylethyl)-1,4-diazepane
CID 82242013
1-[1-(1-phenylethyl)piperidin-2-yl]propan-2-ol
CID 114338177
2-[(1S)-1-phenylethyl]-2-azabicyclo[2.2.1]heptane-3-carbaldehyde
CID 135072267
(1R,3S,4R)-2-[(1S)-1-phenylethyl]-2-azabicyclo[2.2.1]heptane-3-carbaldehyde
CID 132564041

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1-phenylethyl)piperidine-2-carbaldehyde?
The IUPAC name of 3-methyl-1-(1-phenylethyl)piperidine-2-carbaldehyde (CID 100994968) is 3-methyl-1-(1-phenylethyl)piperidine-2-carbaldehyde.
What is the SMILES notation for 3-methyl-1-(1-phenylethyl)piperidine-2-carbaldehyde?
The canonical SMILES for 3-methyl-1-(1-phenylethyl)piperidine-2-carbaldehyde is CC1CCCN(C(C)c2ccccc2)C1C=O.
What is the InChIKey of 3-methyl-1-(1-phenylethyl)piperidine-2-carbaldehyde?
The InChIKey is COPPNYHTAUGGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-12-7-6-10-16(15(12)11-17)13(2)14-8-4-3-5-9-14/h3-5,8-9,11-13,15H,6-7,10H2,1-2H3.
What are the key properties of 3-methyl-1-(1-phenylethyl)piperidine-2-carbaldehyde?
3-methyl-1-(1-phenylethyl)piperidine-2-carbaldehyde has a molecular weight of 231.34 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1-phenylethyl)piperidine-2-carbaldehyde is sourced from PubChem (CID 100994968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).