3-[1-[1-(cyclohexylmethyl)piperidin-4-yl]triazol-4-yl]pyridine

C19H27N5 — CID 46994455

IUPAC3-[1-[1-(cyclohexylmethyl)piperidin-4-yl]triazol-4-yl]pyridine
SMILESc1cncc(-c2cn(C3CCN(CC4CCCCC4)CC3)nn2)c1
InChIInChI=1S/C19H27N5/c1-2-5-16(6-3-1)14-23-11-8-18(9-12-23)24-15-19(21-22-24)17-7-4-10-20-13-17/h4,7,10,13,15-16,18H,1-3,5-6,8-9,11-12,14H2
InChIKeyYHOBKUZQHSHTLV-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.56
Rot. Bonds4

About 3-[1-[1-(cyclohexylmethyl)piperidin-4-yl]triazol-4-yl]pyridine

3-[1-[1-(cyclohexylmethyl)piperidin-4-yl]triazol-4-yl]pyridine (PubChem CID 46994455) has the molecular formula C19H27N5 and a molecular weight of 325.46 g/mol. Its IUPAC name is 3-[1-[1-(cyclohexylmethyl)piperidin-4-yl]triazol-4-yl]pyridine.

Molecular Properties

Compound Name3-[1-[1-(cyclohexylmethyl)piperidin-4-yl]triazol-4-yl]pyridine
PubChem CID46994455
Molecular FormulaC19H27N5
Molecular Weight325.46 g/mol
Exact Mass325.23
IUPAC Name3-[1-[1-(cyclohexylmethyl)piperidin-4-yl]triazol-4-yl]pyridine
SMILESc1cncc(-c2cn(C3CCN(CC4CCCCC4)CC3)nn2)c1
InChIInChI=1S/C19H27N5/c1-2-5-16(6-3-1)14-23-11-8-18(9-12-23)24-15-19(21-22-24)17-7-4-10-20-13-17/h4,7,10,13,15-16,18H,1-3,5-6,8-9,11-12,14H2
InChIKeyYHOBKUZQHSHTLV-UHFFFAOYSA-N
XLogP3.56
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-[1-(thiolan-3-yl)piperidin-4-yl]triazol-4-yl]pyridine
CID 45243217
3-[1-(cyclohexylmethyl)piperidin-4-yl]-6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 126913121
1-adamantyl-[4-(4-pyridin-3-yltriazol-1-yl)piperidin-1-yl]methanone
CID 46989611
(3-fluorophenyl)-[4-(4-pyridin-3-yltriazol-1-yl)piperidin-1-yl]methanone
CID 46984125
4-[1-(cyclohexylmethyl)piperidin-4-yl]-2-pyridin-3-yl-1H-pyrimidin-6-one
CID 136673443
3-[[1-(cyclobutylmethyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one
CID 126943238
2-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 95849758
[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 86264894
N-(2,5-dimethylphenyl)-4-(4-pyridin-3-yltriazol-1-yl)piperidine-1-carboxamide
CID 30937423
3-[2-tert-butyl-1-(cyclohexylmethyl)imidazol-4-yl]pyridine
CID 67453486
2-[4-(4-phenyltriazol-1-yl)piperidin-1-yl]pyridine
CID 174616715
3-[[1-(azepan-1-ylsulfonyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one
CID 126943090

Frequently Asked Questions

What is the IUPAC name of 3-[1-[1-(cyclohexylmethyl)piperidin-4-yl]triazol-4-yl]pyridine?
The IUPAC name of 3-[1-[1-(cyclohexylmethyl)piperidin-4-yl]triazol-4-yl]pyridine (CID 46994455) is 3-[1-[1-(cyclohexylmethyl)piperidin-4-yl]triazol-4-yl]pyridine.
What is the SMILES notation for 3-[1-[1-(cyclohexylmethyl)piperidin-4-yl]triazol-4-yl]pyridine?
The canonical SMILES for 3-[1-[1-(cyclohexylmethyl)piperidin-4-yl]triazol-4-yl]pyridine is c1cncc(-c2cn(C3CCN(CC4CCCCC4)CC3)nn2)c1.
What is the InChIKey of 3-[1-[1-(cyclohexylmethyl)piperidin-4-yl]triazol-4-yl]pyridine?
The InChIKey is YHOBKUZQHSHTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5/c1-2-5-16(6-3-1)14-23-11-8-18(9-12-23)24-15-19(21-22-24)17-7-4-10-20-13-17/h4,7,10,13,15-16,18H,1-3,5-6,8-9,11-12,14H2.
What are the key properties of 3-[1-[1-(cyclohexylmethyl)piperidin-4-yl]triazol-4-yl]pyridine?
3-[1-[1-(cyclohexylmethyl)piperidin-4-yl]triazol-4-yl]pyridine has a molecular weight of 325.46 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[1-(cyclohexylmethyl)piperidin-4-yl]triazol-4-yl]pyridine is sourced from PubChem (CID 46994455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).