1-(cyclohex-3-en-1-ylmethyl)-4-(1H-1,2,4-triazol-5-yl)piperidine

C14H22N4 — CID 131924484

IUPAC1-(cyclohex-3-en-1-ylmethyl)-4-(1H-1,2,4-triazol-5-yl)piperidine
SMILESC1=CCC(CN2CCC(c3ncn[nH]3)CC2)CC1
InChIInChI=1S/C14H22N4/c1-2-4-12(5-3-1)10-18-8-6-13(7-9-18)14-15-11-16-17-14/h1-2,11-13H,3-10H2,(H,15,16,17)
InChIKeyGXJYGZUHWIYDHJ-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.34
Rot. Bonds3

About 1-(cyclohex-3-en-1-ylmethyl)-4-(1H-1,2,4-triazol-5-yl)piperidine

1-(cyclohex-3-en-1-ylmethyl)-4-(1H-1,2,4-triazol-5-yl)piperidine (PubChem CID 131924484) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 1-(cyclohex-3-en-1-ylmethyl)-4-(1H-1,2,4-triazol-5-yl)piperidine.

Molecular Properties

Compound Name1-(cyclohex-3-en-1-ylmethyl)-4-(1H-1,2,4-triazol-5-yl)piperidine
PubChem CID131924484
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name1-(cyclohex-3-en-1-ylmethyl)-4-(1H-1,2,4-triazol-5-yl)piperidine
SMILESC1=CCC(CN2CCC(c3ncn[nH]3)CC2)CC1
InChIInChI=1S/C14H22N4/c1-2-4-12(5-3-1)10-18-8-6-13(7-9-18)14-15-11-16-17-14/h1-2,11-13H,3-10H2,(H,15,16,17)
InChIKeyGXJYGZUHWIYDHJ-UHFFFAOYSA-N
XLogP2.34
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-cyclohex-3-en-1-yl-1H-1,2,4-triazole
CID 91374929
5-cyclohex-2-en-1-yl-1H-1,2,4-triazole
CID 91378833
5-cyclohept-4-en-1-yl-1H-1,2,4-triazole
CID 142256716
4-[(E,2R,3S)-4-chloro-3-methyl-5-(1H-1,2,4-triazol-5-yl)pent-4-en-2-yl]piperidine
CID 163494872
(Z)-4-(5-methyl-1H-1,2,4-triazol-3-yl)dec-7-en-1-amine
CID 163878218
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine
CID 60978475
1-cyclohex-3-en-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine
CID 60978759
N-(cyclohex-3-en-1-ylmethyl)-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 63329075
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-(1H-1,2,4-triazol-5-yl)propan-1-amine
CID 64517412
N-(cyclohex-3-en-1-ylmethyl)-3-(1H-1,2,4-triazol-5-yl)propan-1-amine
CID 64517797
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine
CID 64545610
N-[3-(1H-1,2,4-triazol-5-yl)propyl]bicyclo[3.2.0]hept-3-en-6-amine
CID 64546523

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohex-3-en-1-ylmethyl)-4-(1H-1,2,4-triazol-5-yl)piperidine?
The IUPAC name of 1-(cyclohex-3-en-1-ylmethyl)-4-(1H-1,2,4-triazol-5-yl)piperidine (CID 131924484) is 1-(cyclohex-3-en-1-ylmethyl)-4-(1H-1,2,4-triazol-5-yl)piperidine.
What is the SMILES notation for 1-(cyclohex-3-en-1-ylmethyl)-4-(1H-1,2,4-triazol-5-yl)piperidine?
The canonical SMILES for 1-(cyclohex-3-en-1-ylmethyl)-4-(1H-1,2,4-triazol-5-yl)piperidine is C1=CCC(CN2CCC(c3ncn[nH]3)CC2)CC1.
What is the InChIKey of 1-(cyclohex-3-en-1-ylmethyl)-4-(1H-1,2,4-triazol-5-yl)piperidine?
The InChIKey is GXJYGZUHWIYDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-2-4-12(5-3-1)10-18-8-6-13(7-9-18)14-15-11-16-17-14/h1-2,11-13H,3-10H2,(H,15,16,17).
What are the key properties of 1-(cyclohex-3-en-1-ylmethyl)-4-(1H-1,2,4-triazol-5-yl)piperidine?
1-(cyclohex-3-en-1-ylmethyl)-4-(1H-1,2,4-triazol-5-yl)piperidine has a molecular weight of 246.36 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohex-3-en-1-ylmethyl)-4-(1H-1,2,4-triazol-5-yl)piperidine is sourced from PubChem (CID 131924484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).