(6S)-6-(hydroxymethyl)-1-phenylpiperidine-2-carbaldehyde

C13H17NO2 — CID 174775905

IUPAC(6S)-6-(hydroxymethyl)-1-phenylpiperidine-2-carbaldehyde
SMILESO=CC1CCC[C@@H](CO)N1c1ccccc1
InChIInChI=1S/C13H17NO2/c15-9-12-7-4-8-13(10-16)14(12)11-5-2-1-3-6-11/h1-3,5-6,9,12-13,16H,4,7-8,10H2/t12?,13-/m0/s1
InChIKeyUUPVEEAVYIAFLZ-ABLWVSNPSA-N
MW219.28 g/mol
LogP1.61
Rot. Bonds3

About (6S)-6-(hydroxymethyl)-1-phenylpiperidine-2-carbaldehyde

(6S)-6-(hydroxymethyl)-1-phenylpiperidine-2-carbaldehyde (PubChem CID 174775905) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is (6S)-6-(hydroxymethyl)-1-phenylpiperidine-2-carbaldehyde.

Molecular Properties

Compound Name(6S)-6-(hydroxymethyl)-1-phenylpiperidine-2-carbaldehyde
PubChem CID174775905
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name(6S)-6-(hydroxymethyl)-1-phenylpiperidine-2-carbaldehyde
SMILESO=CC1CCC[C@@H](CO)N1c1ccccc1
InChIInChI=1S/C13H17NO2/c15-9-12-7-4-8-13(10-16)14(12)11-5-2-1-3-6-11/h1-3,5-6,9,12-13,16H,4,7-8,10H2/t12?,13-/m0/s1
InChIKeyUUPVEEAVYIAFLZ-ABLWVSNPSA-N
XLogP1.61
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-(hydroxymethyl)-1-phenylpiperidine-2-carbaldehyde?
The IUPAC name of (6S)-6-(hydroxymethyl)-1-phenylpiperidine-2-carbaldehyde (CID 174775905) is (6S)-6-(hydroxymethyl)-1-phenylpiperidine-2-carbaldehyde.
What is the SMILES notation for (6S)-6-(hydroxymethyl)-1-phenylpiperidine-2-carbaldehyde?
The canonical SMILES for (6S)-6-(hydroxymethyl)-1-phenylpiperidine-2-carbaldehyde is O=CC1CCC[C@@H](CO)N1c1ccccc1.
What is the InChIKey of (6S)-6-(hydroxymethyl)-1-phenylpiperidine-2-carbaldehyde?
The InChIKey is UUPVEEAVYIAFLZ-ABLWVSNPSA-N. The full InChI is InChI=1S/C13H17NO2/c15-9-12-7-4-8-13(10-16)14(12)11-5-2-1-3-6-11/h1-3,5-6,9,12-13,16H,4,7-8,10H2/t12?,13-/m0/s1.
What are the key properties of (6S)-6-(hydroxymethyl)-1-phenylpiperidine-2-carbaldehyde?
(6S)-6-(hydroxymethyl)-1-phenylpiperidine-2-carbaldehyde has a molecular weight of 219.28 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-(hydroxymethyl)-1-phenylpiperidine-2-carbaldehyde is sourced from PubChem (CID 174775905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).