2-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]cyclopentan-1-ol

C14H24N4O — CID 114340223

IUPAC2-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]cyclopentan-1-ol
SMILESCn1cnnc1CN1CCCCC1C1CCCC1O
InChIInChI=1S/C14H24N4O/c1-17-10-15-16-14(17)9-18-8-3-2-6-12(18)11-5-4-7-13(11)19/h10-13,19H,2-9H2,1H3
InChIKeyYKSYZFKVZYQWEL-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.33
Rot. Bonds3

About 2-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]cyclopentan-1-ol

2-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]cyclopentan-1-ol (PubChem CID 114340223) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]cyclopentan-1-ol
PubChem CID114340223
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name2-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]cyclopentan-1-ol
SMILESCn1cnnc1CN1CCCCC1C1CCCC1O
InChIInChI=1S/C14H24N4O/c1-17-10-15-16-14(17)9-18-8-3-2-6-12(18)11-5-4-7-13(11)19/h10-13,19H,2-9H2,1H3
InChIKeyYKSYZFKVZYQWEL-UHFFFAOYSA-N
XLogP1.33
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]cyclopentan-1-ol?
The IUPAC name of 2-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]cyclopentan-1-ol (CID 114340223) is 2-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]cyclopentan-1-ol.
What is the SMILES notation for 2-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]cyclopentan-1-ol?
The canonical SMILES for 2-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]cyclopentan-1-ol is Cn1cnnc1CN1CCCCC1C1CCCC1O.
What is the InChIKey of 2-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]cyclopentan-1-ol?
The InChIKey is YKSYZFKVZYQWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-17-10-15-16-14(17)9-18-8-3-2-6-12(18)11-5-4-7-13(11)19/h10-13,19H,2-9H2,1H3.
What are the key properties of 2-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]cyclopentan-1-ol?
2-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]cyclopentan-1-ol has a molecular weight of 264.37 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]cyclopentan-1-ol is sourced from PubChem (CID 114340223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).