2-[(1-ethyltriazol-4-yl)methyl]piperidine

C10H18N4 — CID 115020003

IUPAC2-[(1-ethyltriazol-4-yl)methyl]piperidine
SMILESCCn1cc(CC2CCCCN2)nn1
InChIInChI=1S/C10H18N4/c1-2-14-8-10(12-13-14)7-9-5-3-4-6-11-9/h8-9,11H,2-7H2,1H3
InChIKeyJZCYELJFEFKNIH-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.98
Rot. Bonds3

About 2-[(1-ethyltriazol-4-yl)methyl]piperidine

2-[(1-ethyltriazol-4-yl)methyl]piperidine (PubChem CID 115020003) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-[(1-ethyltriazol-4-yl)methyl]piperidine.

Molecular Properties

Compound Name2-[(1-ethyltriazol-4-yl)methyl]piperidine
PubChem CID115020003
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name2-[(1-ethyltriazol-4-yl)methyl]piperidine
SMILESCCn1cc(CC2CCCCN2)nn1
InChIInChI=1S/C10H18N4/c1-2-14-8-10(12-13-14)7-9-5-3-4-6-11-9/h8-9,11H,2-7H2,1H3
InChIKeyJZCYELJFEFKNIH-UHFFFAOYSA-N
XLogP0.98
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-ethyltriazol-1-yl)methyl]piperidine
CID 115019973
2-[(1-ethylpyrazol-4-yl)methyl]piperidine
CID 62232960
2-[(1-methylimidazol-4-yl)methyl]piperidine
CID 130509272
5-chloro-2-[[4-(piperidin-2-ylmethyl)triazol-1-yl]methyl]-1-propan-2-ylbenzimidazole
CID 167757109
2-[(1-butan-2-ylpyrazol-3-yl)methyl]piperidine
CID 64778907
4-chloro-3-[[4-(pyrrolidin-2-ylmethyl)triazol-1-yl]methyl]phenol;2,2,2-trifluoroacetic acid
CID 166300274
1-(1-ethylpyrazol-4-yl)-2-piperidin-2-ylethanone
CID 79539659
bis(1,4-diethyltriazole);ethane
CID 160569546
5-methoxy-2-(piperidin-2-ylmethyl)pyrimidine
CID 117231656
1-ethyl-N-[[(2S)-piperidin-2-yl]methyl]pyrazole-4-carboxamide
CID 99776064
7-methyl-2-[[(2S)-piperidin-2-yl]methyl]imidazo[1,2-a]pyrimidine
CID 66650352
4-ethyl-2-[(1-methyltriazol-4-yl)methyl]piperidine
CID 107054467

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethyltriazol-4-yl)methyl]piperidine?
The IUPAC name of 2-[(1-ethyltriazol-4-yl)methyl]piperidine (CID 115020003) is 2-[(1-ethyltriazol-4-yl)methyl]piperidine.
What is the SMILES notation for 2-[(1-ethyltriazol-4-yl)methyl]piperidine?
The canonical SMILES for 2-[(1-ethyltriazol-4-yl)methyl]piperidine is CCn1cc(CC2CCCCN2)nn1.
What is the InChIKey of 2-[(1-ethyltriazol-4-yl)methyl]piperidine?
The InChIKey is JZCYELJFEFKNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-2-14-8-10(12-13-14)7-9-5-3-4-6-11-9/h8-9,11H,2-7H2,1H3.
What are the key properties of 2-[(1-ethyltriazol-4-yl)methyl]piperidine?
2-[(1-ethyltriazol-4-yl)methyl]piperidine has a molecular weight of 194.28 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethyltriazol-4-yl)methyl]piperidine is sourced from PubChem (CID 115020003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).