1-(1-cyclopropylpropan-2-yl)-4-[4-(2-methylpropyl)triazol-1-yl]piperidine

C17H30N4 — CID 46985923

IUPAC1-(1-cyclopropylpropan-2-yl)-4-[4-(2-methylpropyl)triazol-1-yl]piperidine
SMILESCC(C)Cc1cn(C2CCN(C(C)CC3CC3)CC2)nn1
InChIInChI=1S/C17H30N4/c1-13(2)10-16-12-21(19-18-16)17-6-8-20(9-7-17)14(3)11-15-4-5-15/h12-15,17H,4-11H2,1-3H3
InChIKeyMJZJDROSLLJVMN-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.30
Rot. Bonds6

About 1-(1-cyclopropylpropan-2-yl)-4-[4-(2-methylpropyl)triazol-1-yl]piperidine

1-(1-cyclopropylpropan-2-yl)-4-[4-(2-methylpropyl)triazol-1-yl]piperidine (PubChem CID 46985923) has the molecular formula C17H30N4 and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-(1-cyclopropylpropan-2-yl)-4-[4-(2-methylpropyl)triazol-1-yl]piperidine.

Molecular Properties

Compound Name1-(1-cyclopropylpropan-2-yl)-4-[4-(2-methylpropyl)triazol-1-yl]piperidine
PubChem CID46985923
Molecular FormulaC17H30N4
Molecular Weight290.45 g/mol
Exact Mass290.25
IUPAC Name1-(1-cyclopropylpropan-2-yl)-4-[4-(2-methylpropyl)triazol-1-yl]piperidine
SMILESCC(C)Cc1cn(C2CCN(C(C)CC3CC3)CC2)nn1
InChIInChI=1S/C17H30N4/c1-13(2)10-16-12-21(19-18-16)17-6-8-20(9-7-17)14(3)11-15-4-5-15/h12-15,17H,4-11H2,1-3H3
InChIKeyMJZJDROSLLJVMN-UHFFFAOYSA-N
XLogP3.30
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylpropan-2-yl)-4-[4-(2-methylpropyl)triazol-1-yl]piperidine?
The IUPAC name of 1-(1-cyclopropylpropan-2-yl)-4-[4-(2-methylpropyl)triazol-1-yl]piperidine (CID 46985923) is 1-(1-cyclopropylpropan-2-yl)-4-[4-(2-methylpropyl)triazol-1-yl]piperidine.
What is the SMILES notation for 1-(1-cyclopropylpropan-2-yl)-4-[4-(2-methylpropyl)triazol-1-yl]piperidine?
The canonical SMILES for 1-(1-cyclopropylpropan-2-yl)-4-[4-(2-methylpropyl)triazol-1-yl]piperidine is CC(C)Cc1cn(C2CCN(C(C)CC3CC3)CC2)nn1.
What is the InChIKey of 1-(1-cyclopropylpropan-2-yl)-4-[4-(2-methylpropyl)triazol-1-yl]piperidine?
The InChIKey is MJZJDROSLLJVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-13(2)10-16-12-21(19-18-16)17-6-8-20(9-7-17)14(3)11-15-4-5-15/h12-15,17H,4-11H2,1-3H3.
What are the key properties of 1-(1-cyclopropylpropan-2-yl)-4-[4-(2-methylpropyl)triazol-1-yl]piperidine?
1-(1-cyclopropylpropan-2-yl)-4-[4-(2-methylpropyl)triazol-1-yl]piperidine has a molecular weight of 290.45 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylpropan-2-yl)-4-[4-(2-methylpropyl)triazol-1-yl]piperidine is sourced from PubChem (CID 46985923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).