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

C14H24N4O — CID 70739532

IUPAC(3R,4R)-4-cyclobutyl-3-methyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-ol
SMILESC[C@@H]1CN(Cc2nncn2C)CC[C@@]1(O)C1CCC1
InChIInChI=1S/C14H24N4O/c1-11-8-18(9-13-16-15-10-17(13)2)7-6-14(11,19)12-4-3-5-12/h10-12,19H,3-9H2,1-2H3/t11-,14+/m1/s1
InChIKeyIZFNQQJCPUNDOH-RISCZKNCSA-N
MW264.37 g/mol
LogP1.19
Rot. Bonds3

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

(3R,4R)-4-cyclobutyl-3-methyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-ol (PubChem CID 70739532) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is (3R,4R)-4-cyclobutyl-3-methyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name(3R,4R)-4-cyclobutyl-3-methyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-ol
PubChem CID70739532
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name(3R,4R)-4-cyclobutyl-3-methyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-ol
SMILESC[C@@H]1CN(Cc2nncn2C)CC[C@@]1(O)C1CCC1
InChIInChI=1S/C14H24N4O/c1-11-8-18(9-13-16-15-10-17(13)2)7-6-14(11,19)12-4-3-5-12/h10-12,19H,3-9H2,1-2H3/t11-,14+/m1/s1
InChIKeyIZFNQQJCPUNDOH-RISCZKNCSA-N
XLogP1.19
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 ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-cyclobutyl-3-methyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-ol?
The IUPAC name of (3R,4R)-4-cyclobutyl-3-methyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-ol (CID 70739532) is (3R,4R)-4-cyclobutyl-3-methyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-ol.
What is the SMILES notation for (3R,4R)-4-cyclobutyl-3-methyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-ol?
The canonical SMILES for (3R,4R)-4-cyclobutyl-3-methyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-ol is C[C@@H]1CN(Cc2nncn2C)CC[C@@]1(O)C1CCC1.
What is the InChIKey of (3R,4R)-4-cyclobutyl-3-methyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-ol?
The InChIKey is IZFNQQJCPUNDOH-RISCZKNCSA-N. The full InChI is InChI=1S/C14H24N4O/c1-11-8-18(9-13-16-15-10-17(13)2)7-6-14(11,19)12-4-3-5-12/h10-12,19H,3-9H2,1-2H3/t11-,14+/m1/s1.
What are the key properties of (3R,4R)-4-cyclobutyl-3-methyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-ol?
(3R,4R)-4-cyclobutyl-3-methyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-ol has a molecular weight of 264.37 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-cyclobutyl-3-methyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-ol is sourced from PubChem (CID 70739532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).