2-[1-(2-chloro-5-methoxyphenyl)triazol-4-yl]piperidine

C14H17ClN4O — CID 165488704

IUPAC2-[1-(2-chloro-5-methoxyphenyl)triazol-4-yl]piperidine
SMILESCOc1ccc(Cl)c(-n2cc(C3CCCCN3)nn2)c1
InChIInChI=1S/C14H17ClN4O/c1-20-10-5-6-11(15)14(8-10)19-9-13(17-18-19)12-4-2-3-7-16-12/h5-6,8-9,12,16H,2-4,7H2,1H3
InChIKeyYAFXUPPWWZYMQG-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.74
Rot. Bonds3

About 2-[1-(2-chloro-5-methoxyphenyl)triazol-4-yl]piperidine

2-[1-(2-chloro-5-methoxyphenyl)triazol-4-yl]piperidine (PubChem CID 165488704) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is 2-[1-(2-chloro-5-methoxyphenyl)triazol-4-yl]piperidine.

Molecular Properties

Compound Name2-[1-(2-chloro-5-methoxyphenyl)triazol-4-yl]piperidine
PubChem CID165488704
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC Name2-[1-(2-chloro-5-methoxyphenyl)triazol-4-yl]piperidine
SMILESCOc1ccc(Cl)c(-n2cc(C3CCCCN3)nn2)c1
InChIInChI=1S/C14H17ClN4O/c1-20-10-5-6-11(15)14(8-10)19-9-13(17-18-19)12-4-2-3-7-16-12/h5-6,8-9,12,16H,2-4,7H2,1H3
InChIKeyYAFXUPPWWZYMQG-UHFFFAOYSA-N
XLogP2.74
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-chloro-5-methoxyphenyl)-5-pyrrolidin-2-ylimidazole
CID 114704542
2-[1-(2-chloro-5-methoxyphenyl)triazol-4-yl]acetic acid
CID 107461164
5-chloro-N-methyl-6-(4-piperidin-2-yltriazol-1-yl)spiro[1H-indole-3,1'-cyclobutane]-2-imine
CID 148522262
1-(2-chloro-5-methoxyphenyl)triazole-4-carbaldehyde
CID 66214619
4-(2-bromoethyl)-1-(2-chloro-5-methoxyphenyl)triazole
CID 62401920
(2S)-2-(2,4-dimethoxyphenyl)piperidine
CID 7022848
2-(2-bromo-4-methoxyphenyl)piperidine
CID 82625568
(2R)-2-(6-methoxynaphthalen-2-yl)piperidine
CID 171195323
4-methoxy-2-[(2S)-piperidin-2-yl]phenol
CID 131531573
4-methoxy-2-[(2R)-piperidin-2-yl]phenol
CID 131513044
(2R)-2-(2,4-dimethoxyphenyl)piperidine;hydrochloride
CID 171195361
(2S)-2-(6-methoxynaphthalen-2-yl)piperidine;hydrochloride
CID 171194817

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chloro-5-methoxyphenyl)triazol-4-yl]piperidine?
The IUPAC name of 2-[1-(2-chloro-5-methoxyphenyl)triazol-4-yl]piperidine (CID 165488704) is 2-[1-(2-chloro-5-methoxyphenyl)triazol-4-yl]piperidine.
What is the SMILES notation for 2-[1-(2-chloro-5-methoxyphenyl)triazol-4-yl]piperidine?
The canonical SMILES for 2-[1-(2-chloro-5-methoxyphenyl)triazol-4-yl]piperidine is COc1ccc(Cl)c(-n2cc(C3CCCCN3)nn2)c1.
What is the InChIKey of 2-[1-(2-chloro-5-methoxyphenyl)triazol-4-yl]piperidine?
The InChIKey is YAFXUPPWWZYMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O/c1-20-10-5-6-11(15)14(8-10)19-9-13(17-18-19)12-4-2-3-7-16-12/h5-6,8-9,12,16H,2-4,7H2,1H3.
What are the key properties of 2-[1-(2-chloro-5-methoxyphenyl)triazol-4-yl]piperidine?
2-[1-(2-chloro-5-methoxyphenyl)triazol-4-yl]piperidine has a molecular weight of 292.77 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chloro-5-methoxyphenyl)triazol-4-yl]piperidine is sourced from PubChem (CID 165488704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).