1-(2-chloro-5-fluorophenyl)-3-methyl-3-piperidin-1-ylbutan-2-ol

C16H23ClFNO — CID 102618078

IUPAC1-(2-chloro-5-fluorophenyl)-3-methyl-3-piperidin-1-ylbutan-2-ol
SMILESCC(C)(C(O)Cc1cc(F)ccc1Cl)N1CCCCC1
InChIInChI=1S/C16H23ClFNO/c1-16(2,19-8-4-3-5-9-19)15(20)11-12-10-13(18)6-7-14(12)17/h6-7,10,15,20H,3-5,8-9,11H2,1-2H3
InChIKeyPOVXHDWWZOOIPF-UHFFFAOYSA-N
MW299.82 g/mol
LogP3.65
Rot. Bonds4

About 1-(2-chloro-5-fluorophenyl)-3-methyl-3-piperidin-1-ylbutan-2-ol

1-(2-chloro-5-fluorophenyl)-3-methyl-3-piperidin-1-ylbutan-2-ol (PubChem CID 102618078) has the molecular formula C16H23ClFNO and a molecular weight of 299.82 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-3-methyl-3-piperidin-1-ylbutan-2-ol.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-3-methyl-3-piperidin-1-ylbutan-2-ol
PubChem CID102618078
Molecular FormulaC16H23ClFNO
Molecular Weight299.82 g/mol
Exact Mass299.15
IUPAC Name1-(2-chloro-5-fluorophenyl)-3-methyl-3-piperidin-1-ylbutan-2-ol
SMILESCC(C)(C(O)Cc1cc(F)ccc1Cl)N1CCCCC1
InChIInChI=1S/C16H23ClFNO/c1-16(2,19-8-4-3-5-9-19)15(20)11-12-10-13(18)6-7-14(12)17/h6-7,10,15,20H,3-5,8-9,11H2,1-2H3
InChIKeyPOVXHDWWZOOIPF-UHFFFAOYSA-N
XLogP3.65
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.82
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-chloro-5-fluorophenyl)-3-methyl-3-piperidin-1-ylbutan-2-ol with MolForge

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

Launch Full Analysis

Related Compounds

1-(2,5-dichlorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-ol
CID 79056291
1-(2-chloro-5-fluorophenyl)-N,3-dimethyl-3-piperidin-1-ylbutan-2-amine
CID 102619055
1-(2-chloro-5-fluorophenyl)-3-methylbutane-2,3-diol
CID 103449198
3-(azepan-1-yl)-1-(3-chloro-4-fluorophenyl)-3-methylbutan-2-ol
CID 103039636
1-(3-chloro-4-fluorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-ol
CID 103039633
1-(2-chloro-5-fluorophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-ol
CID 102617981
1-(2-bromo-5-fluorophenyl)-3-methyl-3-pyrrolidin-1-ylpentan-2-ol
CID 79069489
[1-(2,5-dichlorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-yl]hydrazine
CID 105239714
2-(azepan-1-yl)-1-(2-chloro-5-fluorophenyl)-N,2-dimethylpropan-1-amine
CID 105395162
[2-(azepan-1-yl)-1-(2-chloro-5-fluorophenyl)-2-methylpropyl]hydrazine
CID 105397880
3-(azepan-1-yl)-1-(2,5-difluorophenyl)-3-methylbutan-2-amine
CID 79051217
1-(2,4-difluorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-ol
CID 79060702

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-3-methyl-3-piperidin-1-ylbutan-2-ol?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-3-methyl-3-piperidin-1-ylbutan-2-ol (CID 102618078) is 1-(2-chloro-5-fluorophenyl)-3-methyl-3-piperidin-1-ylbutan-2-ol.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-3-methyl-3-piperidin-1-ylbutan-2-ol?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-3-methyl-3-piperidin-1-ylbutan-2-ol is CC(C)(C(O)Cc1cc(F)ccc1Cl)N1CCCCC1.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-3-methyl-3-piperidin-1-ylbutan-2-ol?
The InChIKey is POVXHDWWZOOIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClFNO/c1-16(2,19-8-4-3-5-9-19)15(20)11-12-10-13(18)6-7-14(12)17/h6-7,10,15,20H,3-5,8-9,11H2,1-2H3.
What are the key properties of 1-(2-chloro-5-fluorophenyl)-3-methyl-3-piperidin-1-ylbutan-2-ol?
1-(2-chloro-5-fluorophenyl)-3-methyl-3-piperidin-1-ylbutan-2-ol has a molecular weight of 299.82 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluorophenyl)-3-methyl-3-piperidin-1-ylbutan-2-ol is sourced from PubChem (CID 102618078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).