(3R,4R)-4-cyclobutyl-1-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methylpiperidin-4-ol

C16H27N3O — CID 72912462

IUPAC(3R,4R)-4-cyclobutyl-1-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methylpiperidin-4-ol
SMILESCc1nn(C)cc1CN1CC[C@@](O)(C2CCC2)[C@H](C)C1
InChIInChI=1S/C16H27N3O/c1-12-9-19(11-14-10-18(3)17-13(14)2)8-7-16(12,20)15-5-4-6-15/h10,12,15,20H,4-9,11H2,1-3H3/t12-,16+/m1/s1
InChIKeyPQWJQEFCLYSYHQ-WBMJQRKESA-N
MW277.41 g/mol
LogP2.10
Rot. Bonds3

About (3R,4R)-4-cyclobutyl-1-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methylpiperidin-4-ol

(3R,4R)-4-cyclobutyl-1-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methylpiperidin-4-ol (PubChem CID 72912462) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is (3R,4R)-4-cyclobutyl-1-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name(3R,4R)-4-cyclobutyl-1-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methylpiperidin-4-ol
PubChem CID72912462
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name(3R,4R)-4-cyclobutyl-1-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methylpiperidin-4-ol
SMILESCc1nn(C)cc1CN1CC[C@@](O)(C2CCC2)[C@H](C)C1
InChIInChI=1S/C16H27N3O/c1-12-9-19(11-14-10-18(3)17-13(14)2)8-7-16(12,20)15-5-4-6-15/h10,12,15,20H,4-9,11H2,1-3H3/t12-,16+/m1/s1
InChIKeyPQWJQEFCLYSYHQ-WBMJQRKESA-N
XLogP2.10
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-cyclobutyl-1-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methylpiperidin-4-ol?
The IUPAC name of (3R,4R)-4-cyclobutyl-1-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methylpiperidin-4-ol (CID 72912462) is (3R,4R)-4-cyclobutyl-1-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methylpiperidin-4-ol.
What is the SMILES notation for (3R,4R)-4-cyclobutyl-1-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methylpiperidin-4-ol?
The canonical SMILES for (3R,4R)-4-cyclobutyl-1-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methylpiperidin-4-ol is Cc1nn(C)cc1CN1CC[C@@](O)(C2CCC2)[C@H](C)C1.
What is the InChIKey of (3R,4R)-4-cyclobutyl-1-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methylpiperidin-4-ol?
The InChIKey is PQWJQEFCLYSYHQ-WBMJQRKESA-N. The full InChI is InChI=1S/C16H27N3O/c1-12-9-19(11-14-10-18(3)17-13(14)2)8-7-16(12,20)15-5-4-6-15/h10,12,15,20H,4-9,11H2,1-3H3/t12-,16+/m1/s1.
What are the key properties of (3R,4R)-4-cyclobutyl-1-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methylpiperidin-4-ol?
(3R,4R)-4-cyclobutyl-1-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methylpiperidin-4-ol has a molecular weight of 277.41 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-cyclobutyl-1-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methylpiperidin-4-ol is sourced from PubChem (CID 72912462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).