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

C12H15NO — CID 86336366

IUPAC(2S)-1-phenylpiperidine-2-carbaldehyde
SMILESO=C[C@@H]1CCCCN1c1ccccc1
InChIInChI=1S/C12H15NO/c14-10-12-8-4-5-9-13(12)11-6-2-1-3-7-11/h1-3,6-7,10,12H,4-5,8-9H2/t12-/m0/s1
InChIKeyGDKNSQKDWIAURI-LBPRGKRZSA-N
MW189.26 g/mol
LogP2.24
Rot. Bonds2

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

(2S)-1-phenylpiperidine-2-carbaldehyde (PubChem CID 86336366) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is (2S)-1-phenylpiperidine-2-carbaldehyde.

Molecular Properties

Compound Name(2S)-1-phenylpiperidine-2-carbaldehyde
PubChem CID86336366
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name(2S)-1-phenylpiperidine-2-carbaldehyde
SMILESO=C[C@@H]1CCCCN1c1ccccc1
InChIInChI=1S/C12H15NO/c14-10-12-8-4-5-9-13(12)11-6-2-1-3-7-11/h1-3,6-7,10,12H,4-5,8-9H2/t12-/m0/s1
InChIKeyGDKNSQKDWIAURI-LBPRGKRZSA-N
XLogP2.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.24
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

(2S)-1-phenylpyrrolidine-2-carbaldehyde
CID 173110062
hex-1-ene;1-phenylpiperidine-2-carbaldehyde
CID 174454912
1-(4-hydroxyphenyl)piperidine-2-carbaldehyde
CID 175249776
1-[4-(aminomethyl)phenyl]piperidine-2-carbaldehyde
CID 174467781
1-(3,5-dimethylphenyl)piperidine-2-carbaldehyde
CID 174971713
3-(2-formylpiperidin-1-yl)benzenecarboximidamide
CID 142030266
1-pyridin-2-ylpiperidine-2-carbaldehyde
CID 62665226
[(2R)-1-phenylpiperidin-2-yl]methanamine
CID 131023899
1-[4-(1-aminoethyl)phenyl]pyrrolidine-2-carbaldehyde
CID 167239299
(6S)-6-(hydroxymethyl)-1-phenylpiperidine-2-carbaldehyde
CID 174775905
1-quinazolin-2-ylpiperidine-2-carbaldehyde
CID 114789784
2-cyclohexyl-1-phenylpiperidine
CID 11736671

Frequently Asked Questions

What is the IUPAC name of (2S)-1-phenylpiperidine-2-carbaldehyde?
The IUPAC name of (2S)-1-phenylpiperidine-2-carbaldehyde (CID 86336366) is (2S)-1-phenylpiperidine-2-carbaldehyde.
What is the SMILES notation for (2S)-1-phenylpiperidine-2-carbaldehyde?
The canonical SMILES for (2S)-1-phenylpiperidine-2-carbaldehyde is O=C[C@@H]1CCCCN1c1ccccc1.
What is the InChIKey of (2S)-1-phenylpiperidine-2-carbaldehyde?
The InChIKey is GDKNSQKDWIAURI-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H15NO/c14-10-12-8-4-5-9-13(12)11-6-2-1-3-7-11/h1-3,6-7,10,12H,4-5,8-9H2/t12-/m0/s1.
What are the key properties of (2S)-1-phenylpiperidine-2-carbaldehyde?
(2S)-1-phenylpiperidine-2-carbaldehyde has a molecular weight of 189.26 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-phenylpiperidine-2-carbaldehyde is sourced from PubChem (CID 86336366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).