1-(pyridin-3-ylmethyl)piperidine-4-carbaldehyde

C12H16N2O — CID 42556102

IUPAC1-(pyridin-3-ylmethyl)piperidine-4-carbaldehyde
SMILESO=CC1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C12H16N2O/c15-10-11-3-6-14(7-4-11)9-12-2-1-5-13-8-12/h1-2,5,8,10-11H,3-4,6-7,9H2
InChIKeyYRGNXJYVZPMIDV-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.49
Rot. Bonds3

About 1-(pyridin-3-ylmethyl)piperidine-4-carbaldehyde

1-(pyridin-3-ylmethyl)piperidine-4-carbaldehyde (PubChem CID 42556102) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-(pyridin-3-ylmethyl)piperidine-4-carbaldehyde.

Molecular Properties

Compound Name1-(pyridin-3-ylmethyl)piperidine-4-carbaldehyde
PubChem CID42556102
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name1-(pyridin-3-ylmethyl)piperidine-4-carbaldehyde
SMILESO=CC1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C12H16N2O/c15-10-11-3-6-14(7-4-11)9-12-2-1-5-13-8-12/h1-2,5,8,10-11H,3-4,6-7,9H2
InChIKeyYRGNXJYVZPMIDV-UHFFFAOYSA-N
XLogP1.49
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.49
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

3-[[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]pyridine
CID 91916522
3-(pyrrolidin-1-ylmethyl)pyridine;dihydrochloride
CID 119103446
3-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944822
oxalic acid;1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]azepane
CID 2912313
2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]ethanamine;hydrochloride
CID 17245035
3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyridine
CID 16674606
16-(pyridin-3-ylmethyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 11523230
piperidin-1-yl-[1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 56870645
azocan-1-yl-[(3R)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 96573815
3-[[4-(3,5-dimethylpiperidin-1-yl)piperidin-1-yl]methyl]pyridine
CID 2911232
1-[(2-methoxy-3-pyridinyl)methyl]piperidine-4-carbaldehyde
CID 22678407
2-methyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]propan-2-amine
CID 62593458

Frequently Asked Questions

What is the IUPAC name of 1-(pyridin-3-ylmethyl)piperidine-4-carbaldehyde?
The IUPAC name of 1-(pyridin-3-ylmethyl)piperidine-4-carbaldehyde (CID 42556102) is 1-(pyridin-3-ylmethyl)piperidine-4-carbaldehyde.
What is the SMILES notation for 1-(pyridin-3-ylmethyl)piperidine-4-carbaldehyde?
The canonical SMILES for 1-(pyridin-3-ylmethyl)piperidine-4-carbaldehyde is O=CC1CCN(Cc2cccnc2)CC1.
What is the InChIKey of 1-(pyridin-3-ylmethyl)piperidine-4-carbaldehyde?
The InChIKey is YRGNXJYVZPMIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c15-10-11-3-6-14(7-4-11)9-12-2-1-5-13-8-12/h1-2,5,8,10-11H,3-4,6-7,9H2.
What are the key properties of 1-(pyridin-3-ylmethyl)piperidine-4-carbaldehyde?
1-(pyridin-3-ylmethyl)piperidine-4-carbaldehyde has a molecular weight of 204.27 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridin-3-ylmethyl)piperidine-4-carbaldehyde is sourced from PubChem (CID 42556102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).