1-(2-pyridin-2-ylethyl)piperidine-2-carbaldehyde

C13H18N2O — CID 62656596

IUPAC1-(2-pyridin-2-ylethyl)piperidine-2-carbaldehyde
SMILESO=CC1CCCCN1CCc1ccccn1
InChIInChI=1S/C13H18N2O/c16-11-13-6-2-4-9-15(13)10-7-12-5-1-3-8-14-12/h1,3,5,8,11,13H,2,4,6-7,9-10H2
InChIKeyVLCIDEPGMPZQGA-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.68
Rot. Bonds4

About 1-(2-pyridin-2-ylethyl)piperidine-2-carbaldehyde

1-(2-pyridin-2-ylethyl)piperidine-2-carbaldehyde (PubChem CID 62656596) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-(2-pyridin-2-ylethyl)piperidine-2-carbaldehyde.

Molecular Properties

Compound Name1-(2-pyridin-2-ylethyl)piperidine-2-carbaldehyde
PubChem CID62656596
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1-(2-pyridin-2-ylethyl)piperidine-2-carbaldehyde
SMILESO=CC1CCCCN1CCc1ccccn1
InChIInChI=1S/C13H18N2O/c16-11-13-6-2-4-9-15(13)10-7-12-5-1-3-8-14-12/h1,3,5,8,11,13H,2,4,6-7,9-10H2
InChIKeyVLCIDEPGMPZQGA-UHFFFAOYSA-N
XLogP1.68
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(2-pyridin-2-ylethyl)piperidin-2-yl]ethanone
CID 63845672
1-[1-(2-pyridin-2-ylethyl)piperidin-2-yl]propan-1-ol
CID 111333426
1-(2-pyridin-4-ylethyl)piperidine-2-carbaldehyde
CID 62656422
(2S)-1-(2-phenylethyl)pyrrolidine-2-carbaldehyde
CID 89344949
3-[1-(2-pyridin-2-ylethyl)pyrrolidin-2-yl]propan-1-ol
CID 62468527
1-pyridin-2-ylpiperidine-2-carbaldehyde
CID 62665226
1-(3-phenoxypropyl)piperidine-2-carbaldehyde
CID 62655361
2-[1-(2-pyridin-2-ylethyl)pyrrolidin-2-yl]cyclopentan-1-ol
CID 114339128
methyl (2R)-1-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxylate
CID 94335033
1-[(2R)-2-[(2S)-1-(2-pyridin-2-ylethyl)pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95613097
3-[1-(2-pyridin-2-ylethyl)pyrrolidin-2-yl]propan-1-amine
CID 63763018
1-(2-phenylsulfanylethyl)piperidine-2-carbaldehyde
CID 62654968

Frequently Asked Questions

What is the IUPAC name of 1-(2-pyridin-2-ylethyl)piperidine-2-carbaldehyde?
The IUPAC name of 1-(2-pyridin-2-ylethyl)piperidine-2-carbaldehyde (CID 62656596) is 1-(2-pyridin-2-ylethyl)piperidine-2-carbaldehyde.
What is the SMILES notation for 1-(2-pyridin-2-ylethyl)piperidine-2-carbaldehyde?
The canonical SMILES for 1-(2-pyridin-2-ylethyl)piperidine-2-carbaldehyde is O=CC1CCCCN1CCc1ccccn1.
What is the InChIKey of 1-(2-pyridin-2-ylethyl)piperidine-2-carbaldehyde?
The InChIKey is VLCIDEPGMPZQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c16-11-13-6-2-4-9-15(13)10-7-12-5-1-3-8-14-12/h1,3,5,8,11,13H,2,4,6-7,9-10H2.
What are the key properties of 1-(2-pyridin-2-ylethyl)piperidine-2-carbaldehyde?
1-(2-pyridin-2-ylethyl)piperidine-2-carbaldehyde has a molecular weight of 218.30 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyridin-2-ylethyl)piperidine-2-carbaldehyde is sourced from PubChem (CID 62656596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).