1-butan-2-yl-4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidine

C18H32N4 — CID 171631081

IUPAC1-butan-2-yl-4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidine
SMILESCCC(C)N1CCC(Cn2cncn2)(C2CCCCC2)CC1
InChIInChI=1S/C18H32N4/c1-3-16(2)21-11-9-18(10-12-21,13-22-15-19-14-20-22)17-7-5-4-6-8-17/h14-17H,3-13H2,1-2H3
InChIKeyBDINJEQKHOUFCE-UHFFFAOYSA-N
MW304.48 g/mol
LogP3.74
Rot. Bonds5

About 1-butan-2-yl-4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidine

1-butan-2-yl-4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidine (PubChem CID 171631081) has the molecular formula C18H32N4 and a molecular weight of 304.48 g/mol. Its IUPAC name is 1-butan-2-yl-4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidine.

Molecular Properties

Compound Name1-butan-2-yl-4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidine
PubChem CID171631081
Molecular FormulaC18H32N4
Molecular Weight304.48 g/mol
Exact Mass304.26
IUPAC Name1-butan-2-yl-4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidine
SMILESCCC(C)N1CCC(Cn2cncn2)(C2CCCCC2)CC1
InChIInChI=1S/C18H32N4/c1-3-16(2)21-11-9-18(10-12-21,13-22-15-19-14-20-22)17-7-5-4-6-8-17/h14-17H,3-13H2,1-2H3
InChIKeyBDINJEQKHOUFCE-UHFFFAOYSA-N
XLogP3.74
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidine?
The IUPAC name of 1-butan-2-yl-4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidine (CID 171631081) is 1-butan-2-yl-4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidine.
What is the SMILES notation for 1-butan-2-yl-4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidine?
The canonical SMILES for 1-butan-2-yl-4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidine is CCC(C)N1CCC(Cn2cncn2)(C2CCCCC2)CC1.
What is the InChIKey of 1-butan-2-yl-4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidine?
The InChIKey is BDINJEQKHOUFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4/c1-3-16(2)21-11-9-18(10-12-21,13-22-15-19-14-20-22)17-7-5-4-6-8-17/h14-17H,3-13H2,1-2H3.
What are the key properties of 1-butan-2-yl-4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidine?
1-butan-2-yl-4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidine has a molecular weight of 304.48 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidine is sourced from PubChem (CID 171631081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).