4-amino-2-phenylpiperidine-1-carbaldehyde

C12H16N2O — CID 165142016

IUPAC4-amino-2-phenylpiperidine-1-carbaldehyde
SMILESNC1CCN(C=O)C(c2ccccc2)C1
InChIInChI=1S/C12H16N2O/c13-11-6-7-14(9-15)12(8-11)10-4-2-1-3-5-10/h1-5,9,11-12H,6-8,13H2
InChIKeyQQUHFZCSYPBWFN-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.31
Rot. Bonds2

About 4-amino-2-phenylpiperidine-1-carbaldehyde

4-amino-2-phenylpiperidine-1-carbaldehyde (PubChem CID 165142016) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 4-amino-2-phenylpiperidine-1-carbaldehyde.

Molecular Properties

Compound Name4-amino-2-phenylpiperidine-1-carbaldehyde
PubChem CID165142016
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name4-amino-2-phenylpiperidine-1-carbaldehyde
SMILESNC1CCN(C=O)C(c2ccccc2)C1
InChIInChI=1S/C12H16N2O/c13-11-6-7-14(9-15)12(8-11)10-4-2-1-3-5-10/h1-5,9,11-12H,6-8,13H2
InChIKeyQQUHFZCSYPBWFN-UHFFFAOYSA-N
XLogP1.31
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.31
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

2-phenylazetidine-1-carbaldehyde
CID 172843566
2-(2-fluorophenyl)-4-phenylpiperidine-1-carbaldehyde
CID 140572402
4-phenyl-2-propan-2-ylpiperidine-1-carbaldehyde
CID 76543536
3-(2-phenylpyrrolidin-1-yl)cyclopentan-1-amine
CID 79468856
2-(4-aminophenyl)pyrrolidine-1-carbaldehyde
CID 151121323
(3R,5R)-1,5-diphenylpyrrolidin-3-amine
CID 125491761
(3-aminocyclopentyl)-(2-phenylpyrrolidin-1-yl)methanone;hydrochloride
CID 119698902
2-phenoxyazetidine-1-carbaldehyde
CID 23148203
4-methyl-3-phenylpiperazine-1-carbaldehyde
CID 175202957
(2R)-2-(4-fluorophenyl)pyrrolidine-1-carbaldehyde
CID 124501094
(3S)-3-phenylpyrrolidine-1-carbaldehyde
CID 175059746
2-(3-hydroxyphenyl)pyrrolidine-1-carbaldehyde
CID 174863712

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-phenylpiperidine-1-carbaldehyde?
The IUPAC name of 4-amino-2-phenylpiperidine-1-carbaldehyde (CID 165142016) is 4-amino-2-phenylpiperidine-1-carbaldehyde.
What is the SMILES notation for 4-amino-2-phenylpiperidine-1-carbaldehyde?
The canonical SMILES for 4-amino-2-phenylpiperidine-1-carbaldehyde is NC1CCN(C=O)C(c2ccccc2)C1.
What is the InChIKey of 4-amino-2-phenylpiperidine-1-carbaldehyde?
The InChIKey is QQUHFZCSYPBWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c13-11-6-7-14(9-15)12(8-11)10-4-2-1-3-5-10/h1-5,9,11-12H,6-8,13H2.
What are the key properties of 4-amino-2-phenylpiperidine-1-carbaldehyde?
4-amino-2-phenylpiperidine-1-carbaldehyde has a molecular weight of 204.27 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-phenylpiperidine-1-carbaldehyde is sourced from PubChem (CID 165142016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).