2-[2-[4-(2-cyclohexyl-1,2,4-triazol-3-yl)triazol-1-yl]ethyl]piperidine

C17H27N7 — CID 72873693

IUPAC2-[2-[4-(2-cyclohexyl-1,2,4-triazol-3-yl)triazol-1-yl]ethyl]piperidine
SMILESc1nc(-c2cn(CCC3CCCCN3)nn2)n(C2CCCCC2)n1
InChIInChI=1S/C17H27N7/c1-2-7-15(8-3-1)24-17(19-13-20-24)16-12-23(22-21-16)11-9-14-6-4-5-10-18-14/h12-15,18H,1-11H2
InChIKeyQKQKAQRZDJZMPJ-UHFFFAOYSA-N
MW329.45 g/mol
LogP2.57
Rot. Bonds5

About 2-[2-[4-(2-cyclohexyl-1,2,4-triazol-3-yl)triazol-1-yl]ethyl]piperidine

2-[2-[4-(2-cyclohexyl-1,2,4-triazol-3-yl)triazol-1-yl]ethyl]piperidine (PubChem CID 72873693) has the molecular formula C17H27N7 and a molecular weight of 329.45 g/mol. Its IUPAC name is 2-[2-[4-(2-cyclohexyl-1,2,4-triazol-3-yl)triazol-1-yl]ethyl]piperidine.

Molecular Properties

Compound Name2-[2-[4-(2-cyclohexyl-1,2,4-triazol-3-yl)triazol-1-yl]ethyl]piperidine
PubChem CID72873693
Molecular FormulaC17H27N7
Molecular Weight329.45 g/mol
Exact Mass329.23
IUPAC Name2-[2-[4-(2-cyclohexyl-1,2,4-triazol-3-yl)triazol-1-yl]ethyl]piperidine
SMILESc1nc(-c2cn(CCC3CCCCN3)nn2)n(C2CCCCC2)n1
InChIInChI=1S/C17H27N7/c1-2-7-15(8-3-1)24-17(19-13-20-24)16-12-23(22-21-16)11-9-14-6-4-5-10-18-14/h12-15,18H,1-11H2
InChIKeyQKQKAQRZDJZMPJ-UHFFFAOYSA-N
XLogP2.57
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-(triazol-1-yl)ethyl]azepane
CID 141161255
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide
CID 70755345
N-(oxan-4-yl)-1-[2-[(2R)-piperidin-2-yl]ethyl]triazole-4-carboxamide
CID 96573576
1-(2-piperidin-2-ylethyl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)triazole-4-carboxamide
CID 70727559
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide
CID 70766008
N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-[2-[(2R)-piperidin-2-yl]ethyl]triazole-4-carboxamide
CID 95875073
3-[1-[1-[2-[(2S)-piperidin-2-yl]ethyl]triazole-4-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one
CID 96579039
2-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]piperidine
CID 63460492
N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide
CID 70760529
[1-(2-piperidin-2-ylethyl)triazol-4-yl]-[4-(pyridin-2-ylamino)piperidin-1-yl]methanone
CID 70717153
2-[2-(5-methyltriazol-1-yl)ethyl]piperidine
CID 82222439
6-[1-(2-piperidin-2-ylethyl)triazole-4-carbonyl]-1,2,4,5,7,8-hexahydropyrazolo[3,4-d]azepin-3-one
CID 70786975

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(2-cyclohexyl-1,2,4-triazol-3-yl)triazol-1-yl]ethyl]piperidine?
The IUPAC name of 2-[2-[4-(2-cyclohexyl-1,2,4-triazol-3-yl)triazol-1-yl]ethyl]piperidine (CID 72873693) is 2-[2-[4-(2-cyclohexyl-1,2,4-triazol-3-yl)triazol-1-yl]ethyl]piperidine.
What is the SMILES notation for 2-[2-[4-(2-cyclohexyl-1,2,4-triazol-3-yl)triazol-1-yl]ethyl]piperidine?
The canonical SMILES for 2-[2-[4-(2-cyclohexyl-1,2,4-triazol-3-yl)triazol-1-yl]ethyl]piperidine is c1nc(-c2cn(CCC3CCCCN3)nn2)n(C2CCCCC2)n1.
What is the InChIKey of 2-[2-[4-(2-cyclohexyl-1,2,4-triazol-3-yl)triazol-1-yl]ethyl]piperidine?
The InChIKey is QKQKAQRZDJZMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N7/c1-2-7-15(8-3-1)24-17(19-13-20-24)16-12-23(22-21-16)11-9-14-6-4-5-10-18-14/h12-15,18H,1-11H2.
What are the key properties of 2-[2-[4-(2-cyclohexyl-1,2,4-triazol-3-yl)triazol-1-yl]ethyl]piperidine?
2-[2-[4-(2-cyclohexyl-1,2,4-triazol-3-yl)triazol-1-yl]ethyl]piperidine has a molecular weight of 329.45 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(2-cyclohexyl-1,2,4-triazol-3-yl)triazol-1-yl]ethyl]piperidine is sourced from PubChem (CID 72873693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).