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

C16H22N4O — CID 87052202

IUPAC2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-(furan-3-ylmethyl)piperidine
SMILESc1cc(CN2CCCCC2c2nncn2CC2CC2)co1
InChIInChI=1S/C16H22N4O/c1-2-7-19(10-14-6-8-21-11-14)15(3-1)16-18-17-12-20(16)9-13-4-5-13/h6,8,11-13,15H,1-5,7,9-10H2
InChIKeyZNHYNXHGRGKDJH-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.01
Rot. Bonds5

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

2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-(furan-3-ylmethyl)piperidine (PubChem CID 87052202) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-(furan-3-ylmethyl)piperidine.

Molecular Properties

Compound Name2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-(furan-3-ylmethyl)piperidine
PubChem CID87052202
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-(furan-3-ylmethyl)piperidine
SMILESc1cc(CN2CCCCC2c2nncn2CC2CC2)co1
InChIInChI=1S/C16H22N4O/c1-2-7-19(10-14-6-8-21-11-14)15(3-1)16-18-17-12-20(16)9-13-4-5-13/h6,8,11-13,15H,1-5,7,9-10H2
InChIKeyZNHYNXHGRGKDJH-UHFFFAOYSA-N
XLogP3.01
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-(furan-3-ylmethyl)piperidine?
The IUPAC name of 2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-(furan-3-ylmethyl)piperidine (CID 87052202) is 2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-(furan-3-ylmethyl)piperidine.
What is the SMILES notation for 2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-(furan-3-ylmethyl)piperidine?
The canonical SMILES for 2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-(furan-3-ylmethyl)piperidine is c1cc(CN2CCCCC2c2nncn2CC2CC2)co1.
What is the InChIKey of 2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-(furan-3-ylmethyl)piperidine?
The InChIKey is ZNHYNXHGRGKDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-2-7-19(10-14-6-8-21-11-14)15(3-1)16-18-17-12-20(16)9-13-4-5-13/h6,8,11-13,15H,1-5,7,9-10H2.
What are the key properties of 2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-(furan-3-ylmethyl)piperidine?
2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-(furan-3-ylmethyl)piperidine has a molecular weight of 286.38 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-(furan-3-ylmethyl)piperidine is sourced from PubChem (CID 87052202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).