(3R)-1-benzylpiperidine-3-carbaldehyde

C13H17NO — CID 86316318

IUPAC(3R)-1-benzylpiperidine-3-carbaldehyde
SMILESO=C[C@@H]1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C13H17NO/c15-11-13-7-4-8-14(10-13)9-12-5-2-1-3-6-12/h1-3,5-6,11,13H,4,7-10H2/t13-/m1/s1
InChIKeyVXLGEGLTEVHHOC-CYBMUJFWSA-N
MW203.29 g/mol
LogP2.10
Rot. Bonds3

About (3R)-1-benzylpiperidine-3-carbaldehyde

(3R)-1-benzylpiperidine-3-carbaldehyde (PubChem CID 86316318) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is (3R)-1-benzylpiperidine-3-carbaldehyde.

Molecular Properties

Compound Name(3R)-1-benzylpiperidine-3-carbaldehyde
PubChem CID86316318
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name(3R)-1-benzylpiperidine-3-carbaldehyde
SMILESO=C[C@@H]1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C13H17NO/c15-11-13-7-4-8-14(10-13)9-12-5-2-1-3-6-12/h1-3,5-6,11,13H,4,7-10H2/t13-/m1/s1
InChIKeyVXLGEGLTEVHHOC-CYBMUJFWSA-N
XLogP2.10
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.10
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

1-benzylazepane-3-carbaldehyde
CID 83910081
1-[(2-bromophenyl)methyl]piperidine-3-carbaldehyde
CID 62662381
1-[(2-methylphenyl)methyl]piperidine-3-carbaldehyde
CID 62654379
(3S)-1-benzylpyrrolidine-3-carbaldehyde;ethyl formate
CID 142014962
1-[(4-pyrazol-1-ylphenyl)methyl]piperidine-3-carbaldehyde
CID 62660628
3-[(3-formylpiperidin-1-yl)methyl]benzamide
CID 62656741
(3S)-1-(2,2-diphenylethyl)piperidine-3-carbaldehyde
CID 18665738
1-(pyrimidin-2-ylmethyl)piperidine-3-carbaldehyde
CID 62698844
1-(1,2-oxazol-4-ylmethyl)piperidine-3-carbaldehyde
CID 62654197
3-[(3S)-1-benzylpiperidin-3-yl]propanal
CID 129365350
9-benzyl-1,4-dioxa-9-azaspiro[4.7]dodecane-7-carbaldehyde
CID 89024276
2-[(3R)-1-benzylpiperidin-3-yl]acetic acid
CID 86313785

Frequently Asked Questions

What is the IUPAC name of (3R)-1-benzylpiperidine-3-carbaldehyde?
The IUPAC name of (3R)-1-benzylpiperidine-3-carbaldehyde (CID 86316318) is (3R)-1-benzylpiperidine-3-carbaldehyde.
What is the SMILES notation for (3R)-1-benzylpiperidine-3-carbaldehyde?
The canonical SMILES for (3R)-1-benzylpiperidine-3-carbaldehyde is O=C[C@@H]1CCCN(Cc2ccccc2)C1.
What is the InChIKey of (3R)-1-benzylpiperidine-3-carbaldehyde?
The InChIKey is VXLGEGLTEVHHOC-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H17NO/c15-11-13-7-4-8-14(10-13)9-12-5-2-1-3-6-12/h1-3,5-6,11,13H,4,7-10H2/t13-/m1/s1.
What are the key properties of (3R)-1-benzylpiperidine-3-carbaldehyde?
(3R)-1-benzylpiperidine-3-carbaldehyde has a molecular weight of 203.29 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-benzylpiperidine-3-carbaldehyde is sourced from PubChem (CID 86316318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).