2-[(5-chlorotriazol-1-yl)methyl]piperidine

C8H13ClN4 — CID 84776015

IUPAC2-[(5-chlorotriazol-1-yl)methyl]piperidine
SMILESClc1cnnn1CC1CCCCN1
InChIInChI=1S/C8H13ClN4/c9-8-5-11-12-13(8)6-7-3-1-2-4-10-7/h5,7,10H,1-4,6H2
InChIKeyXCZDIJLTJHKIDS-UHFFFAOYSA-N
MW200.67 g/mol
LogP1.07
Rot. Bonds2

About 2-[(5-chlorotriazol-1-yl)methyl]piperidine

2-[(5-chlorotriazol-1-yl)methyl]piperidine (PubChem CID 84776015) has the molecular formula C8H13ClN4 and a molecular weight of 200.67 g/mol. Its IUPAC name is 2-[(5-chlorotriazol-1-yl)methyl]piperidine.

Molecular Properties

Compound Name2-[(5-chlorotriazol-1-yl)methyl]piperidine
PubChem CID84776015
Molecular FormulaC8H13ClN4
Molecular Weight200.67 g/mol
Exact Mass200.08
IUPAC Name2-[(5-chlorotriazol-1-yl)methyl]piperidine
SMILESClc1cnnn1CC1CCCCN1
InChIInChI=1S/C8H13ClN4/c9-8-5-11-12-13(8)6-7-3-1-2-4-10-7/h5,7,10H,1-4,6H2
InChIKeyXCZDIJLTJHKIDS-UHFFFAOYSA-N
XLogP1.07
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-cyclobutyltriazol-1-yl)methyl]piperidine
CID 115032296
2-[2-(5-methyltriazol-1-yl)ethyl]piperidine
CID 82222439
2-[[3-(2-methylpropyl)triazol-4-yl]methyl]piperidine
CID 84687903
5-bromo-1-(pyrrolidin-2-ylmethyl)pyrazol-4-ol
CID 117232255
4-hydroxy-1-(piperidin-2-ylmethyl)pyrazole-5-carboxylic acid
CID 117232341
5-fluoro-1-(piperidin-2-ylmethyl)indazole
CID 84796127
2-[(5-methoxy-3-methylpyrazol-1-yl)methyl]piperidine
CID 84722956
3-methyl-1-(piperidin-2-ylmethyl)indazole
CID 84793021
2-(pyrrol-1-ylmethyl)piperidine
CID 54001676
5-chloro-4-phenoxy-1-(pyrrolidin-2-ylmethyl)pyrazole
CID 117232233
3-(piperidin-2-ylmethyl)-1,2,3-benzotriazin-4-one;hydrochloride
CID 78053632
[(2S)-azepan-2-yl]methanol
CID 870731

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorotriazol-1-yl)methyl]piperidine?
The IUPAC name of 2-[(5-chlorotriazol-1-yl)methyl]piperidine (CID 84776015) is 2-[(5-chlorotriazol-1-yl)methyl]piperidine.
What is the SMILES notation for 2-[(5-chlorotriazol-1-yl)methyl]piperidine?
The canonical SMILES for 2-[(5-chlorotriazol-1-yl)methyl]piperidine is Clc1cnnn1CC1CCCCN1.
What is the InChIKey of 2-[(5-chlorotriazol-1-yl)methyl]piperidine?
The InChIKey is XCZDIJLTJHKIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN4/c9-8-5-11-12-13(8)6-7-3-1-2-4-10-7/h5,7,10H,1-4,6H2.
What are the key properties of 2-[(5-chlorotriazol-1-yl)methyl]piperidine?
2-[(5-chlorotriazol-1-yl)methyl]piperidine has a molecular weight of 200.67 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorotriazol-1-yl)methyl]piperidine is sourced from PubChem (CID 84776015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).