2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-(2-methylpropyl)piperidine

C15H26N4 — CID 87052206

IUPAC2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-(2-methylpropyl)piperidine
SMILESCC(C)CN1CCCCC1c1nncn1CC1CC1
InChIInChI=1S/C15H26N4/c1-12(2)9-18-8-4-3-5-14(18)15-17-16-11-19(15)10-13-6-7-13/h11-14H,3-10H2,1-2H3
InChIKeyBFQPPOHXLAXYKB-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.87
Rot. Bonds5

About 2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-(2-methylpropyl)piperidine

2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-(2-methylpropyl)piperidine (PubChem CID 87052206) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-(2-methylpropyl)piperidine.

Molecular Properties

Compound Name2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-(2-methylpropyl)piperidine
PubChem CID87052206
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-(2-methylpropyl)piperidine
SMILESCC(C)CN1CCCCC1c1nncn1CC1CC1
InChIInChI=1S/C15H26N4/c1-12(2)9-18-8-4-3-5-14(18)15-17-16-11-19(15)10-13-6-7-13/h11-14H,3-10H2,1-2H3
InChIKeyBFQPPOHXLAXYKB-UHFFFAOYSA-N
XLogP2.87
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-(2-methylpropyl)piperidine?
The IUPAC name of 2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-(2-methylpropyl)piperidine (CID 87052206) is 2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-(2-methylpropyl)piperidine.
What is the SMILES notation for 2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-(2-methylpropyl)piperidine?
The canonical SMILES for 2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-(2-methylpropyl)piperidine is CC(C)CN1CCCCC1c1nncn1CC1CC1.
What is the InChIKey of 2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-(2-methylpropyl)piperidine?
The InChIKey is BFQPPOHXLAXYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-12(2)9-18-8-4-3-5-14(18)15-17-16-11-19(15)10-13-6-7-13/h11-14H,3-10H2,1-2H3.
What are the key properties of 2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-(2-methylpropyl)piperidine?
2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-(2-methylpropyl)piperidine has a molecular weight of 262.40 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-(2-methylpropyl)piperidine is sourced from PubChem (CID 87052206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).