[1-[(3-chloro-2-methylphenyl)methyl]piperidin-4-yl]-(2-methylpyrazol-3-yl)methanol

C18H24ClN3O — CID 154786461

IUPAC[1-[(3-chloro-2-methylphenyl)methyl]piperidin-4-yl]-(2-methylpyrazol-3-yl)methanol
SMILESCc1c(Cl)cccc1CN1CCC(C(O)c2ccnn2C)CC1
InChIInChI=1S/C18H24ClN3O/c1-13-15(4-3-5-16(13)19)12-22-10-7-14(8-11-22)18(23)17-6-9-20-21(17)2/h3-6,9,14,18,23H,7-8,10-12H2,1-2H3
InChIKeyLTWFKKIMHVODTH-UHFFFAOYSA-N
MW333.86 g/mol
LogP3.33
Rot. Bonds4

About [1-[(3-chloro-2-methylphenyl)methyl]piperidin-4-yl]-(2-methylpyrazol-3-yl)methanol

[1-[(3-chloro-2-methylphenyl)methyl]piperidin-4-yl]-(2-methylpyrazol-3-yl)methanol (PubChem CID 154786461) has the molecular formula C18H24ClN3O and a molecular weight of 333.86 g/mol. Its IUPAC name is [1-[(3-chloro-2-methylphenyl)methyl]piperidin-4-yl]-(2-methylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name[1-[(3-chloro-2-methylphenyl)methyl]piperidin-4-yl]-(2-methylpyrazol-3-yl)methanol
PubChem CID154786461
Molecular FormulaC18H24ClN3O
Molecular Weight333.86 g/mol
Exact Mass333.16
IUPAC Name[1-[(3-chloro-2-methylphenyl)methyl]piperidin-4-yl]-(2-methylpyrazol-3-yl)methanol
SMILESCc1c(Cl)cccc1CN1CCC(C(O)c2ccnn2C)CC1
InChIInChI=1S/C18H24ClN3O/c1-13-15(4-3-5-16(13)19)12-22-10-7-14(8-11-22)18(23)17-6-9-20-21(17)2/h3-6,9,14,18,23H,7-8,10-12H2,1-2H3
InChIKeyLTWFKKIMHVODTH-UHFFFAOYSA-N
XLogP3.33
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.86
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-[(3-chloro-2-methylphenyl)methyl]piperidin-4-yl]-(2-methylpyrazol-3-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-[(3-chloro-2-methylphenyl)methyl]piperidin-4-yl]-(2-methylpyrazol-3-yl)methanol?
The IUPAC name of [1-[(3-chloro-2-methylphenyl)methyl]piperidin-4-yl]-(2-methylpyrazol-3-yl)methanol (CID 154786461) is [1-[(3-chloro-2-methylphenyl)methyl]piperidin-4-yl]-(2-methylpyrazol-3-yl)methanol.
What is the SMILES notation for [1-[(3-chloro-2-methylphenyl)methyl]piperidin-4-yl]-(2-methylpyrazol-3-yl)methanol?
The canonical SMILES for [1-[(3-chloro-2-methylphenyl)methyl]piperidin-4-yl]-(2-methylpyrazol-3-yl)methanol is Cc1c(Cl)cccc1CN1CCC(C(O)c2ccnn2C)CC1.
What is the InChIKey of [1-[(3-chloro-2-methylphenyl)methyl]piperidin-4-yl]-(2-methylpyrazol-3-yl)methanol?
The InChIKey is LTWFKKIMHVODTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O/c1-13-15(4-3-5-16(13)19)12-22-10-7-14(8-11-22)18(23)17-6-9-20-21(17)2/h3-6,9,14,18,23H,7-8,10-12H2,1-2H3.
What are the key properties of [1-[(3-chloro-2-methylphenyl)methyl]piperidin-4-yl]-(2-methylpyrazol-3-yl)methanol?
[1-[(3-chloro-2-methylphenyl)methyl]piperidin-4-yl]-(2-methylpyrazol-3-yl)methanol has a molecular weight of 333.86 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-chloro-2-methylphenyl)methyl]piperidin-4-yl]-(2-methylpyrazol-3-yl)methanol is sourced from PubChem (CID 154786461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).