(3R)-1-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-3-(hydroxymethyl)piperidin-3-ol

C18H25N3O2 — CID 95867256

IUPAC(3R)-1-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-3-(hydroxymethyl)piperidin-3-ol
SMILESCc1cc(C)c(CN2CCC[C@](O)(CO)C2)c(-n2cccn2)c1
InChIInChI=1S/C18H25N3O2/c1-14-9-15(2)16(17(10-14)21-8-4-6-19-21)11-20-7-3-5-18(23,12-20)13-22/h4,6,8-10,22-23H,3,5,7,11-13H2,1-2H3/t18-/m1/s1
InChIKeyMOWAGQQSEKRNCS-GOSISDBHSA-N
MW315.42 g/mol
LogP1.81
Rot. Bonds4

About (3R)-1-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-3-(hydroxymethyl)piperidin-3-ol

(3R)-1-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-3-(hydroxymethyl)piperidin-3-ol (PubChem CID 95867256) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is (3R)-1-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-3-(hydroxymethyl)piperidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-3-(hydroxymethyl)piperidin-3-ol
PubChem CID95867256
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name(3R)-1-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-3-(hydroxymethyl)piperidin-3-ol
SMILESCc1cc(C)c(CN2CCC[C@](O)(CO)C2)c(-n2cccn2)c1
InChIInChI=1S/C18H25N3O2/c1-14-9-15(2)16(17(10-14)21-8-4-6-19-21)11-20-7-3-5-18(23,12-20)13-22/h4,6,8-10,22-23H,3,5,7,11-13H2,1-2H3/t18-/m1/s1
InChIKeyMOWAGQQSEKRNCS-GOSISDBHSA-N
XLogP1.81
TPSA61.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-3-(hydroxymethyl)piperidin-3-ol?
The IUPAC name of (3R)-1-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-3-(hydroxymethyl)piperidin-3-ol (CID 95867256) is (3R)-1-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-3-(hydroxymethyl)piperidin-3-ol.
What is the SMILES notation for (3R)-1-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-3-(hydroxymethyl)piperidin-3-ol?
The canonical SMILES for (3R)-1-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-3-(hydroxymethyl)piperidin-3-ol is Cc1cc(C)c(CN2CCC[C@](O)(CO)C2)c(-n2cccn2)c1.
What is the InChIKey of (3R)-1-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-3-(hydroxymethyl)piperidin-3-ol?
The InChIKey is MOWAGQQSEKRNCS-GOSISDBHSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-14-9-15(2)16(17(10-14)21-8-4-6-19-21)11-20-7-3-5-18(23,12-20)13-22/h4,6,8-10,22-23H,3,5,7,11-13H2,1-2H3/t18-/m1/s1.
What are the key properties of (3R)-1-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-3-(hydroxymethyl)piperidin-3-ol?
(3R)-1-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-3-(hydroxymethyl)piperidin-3-ol has a molecular weight of 315.42 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-3-(hydroxymethyl)piperidin-3-ol is sourced from PubChem (CID 95867256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).