2-phenylpiperidine-3-carbaldehyde

C12H15NO — CID 174613861

IUPAC2-phenylpiperidine-3-carbaldehyde
SMILESO=CC1CCCNC1c1ccccc1
InChIInChI=1S/C12H15NO/c14-9-11-7-4-8-13-12(11)10-5-2-1-3-6-10/h1-3,5-6,9,11-13H,4,7-8H2
InChIKeyOPBHKQNCVMWWEL-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.93
Rot. Bonds2

About 2-phenylpiperidine-3-carbaldehyde

2-phenylpiperidine-3-carbaldehyde (PubChem CID 174613861) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 2-phenylpiperidine-3-carbaldehyde.

Molecular Properties

Compound Name2-phenylpiperidine-3-carbaldehyde
PubChem CID174613861
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name2-phenylpiperidine-3-carbaldehyde
SMILESO=CC1CCCNC1c1ccccc1
InChIInChI=1S/C12H15NO/c14-9-11-7-4-8-13-12(11)10-5-2-1-3-6-10/h1-3,5-6,9,11-13H,4,7-8H2
InChIKeyOPBHKQNCVMWWEL-UHFFFAOYSA-N
XLogP1.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-phenylpiperidine-3-carbaldehyde?
The IUPAC name of 2-phenylpiperidine-3-carbaldehyde (CID 174613861) is 2-phenylpiperidine-3-carbaldehyde.
What is the SMILES notation for 2-phenylpiperidine-3-carbaldehyde?
The canonical SMILES for 2-phenylpiperidine-3-carbaldehyde is O=CC1CCCNC1c1ccccc1.
What is the InChIKey of 2-phenylpiperidine-3-carbaldehyde?
The InChIKey is OPBHKQNCVMWWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c14-9-11-7-4-8-13-12(11)10-5-2-1-3-6-10/h1-3,5-6,9,11-13H,4,7-8H2.
What are the key properties of 2-phenylpiperidine-3-carbaldehyde?
2-phenylpiperidine-3-carbaldehyde has a molecular weight of 189.26 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylpiperidine-3-carbaldehyde is sourced from PubChem (CID 174613861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).