4-(3-chloro-4-fluoroanilino)piperidin-2-ol

C11H14ClFN2O — CID 173310295

IUPAC4-(3-chloro-4-fluoroanilino)piperidin-2-ol
SMILESOC1CC(Nc2ccc(F)c(Cl)c2)CCN1
InChIInChI=1S/C11H14ClFN2O/c12-9-5-7(1-2-10(9)13)15-8-3-4-14-11(16)6-8/h1-2,5,8,11,14-16H,3-4,6H2
InChIKeyXRULMUFLDRJPTI-UHFFFAOYSA-N
MW244.70 g/mol
LogP1.96
Rot. Bonds2

About 4-(3-chloro-4-fluoroanilino)piperidin-2-ol

4-(3-chloro-4-fluoroanilino)piperidin-2-ol (PubChem CID 173310295) has the molecular formula C11H14ClFN2O and a molecular weight of 244.70 g/mol. Its IUPAC name is 4-(3-chloro-4-fluoroanilino)piperidin-2-ol.

Molecular Properties

Compound Name4-(3-chloro-4-fluoroanilino)piperidin-2-ol
PubChem CID173310295
Molecular FormulaC11H14ClFN2O
Molecular Weight244.70 g/mol
Exact Mass244.08
IUPAC Name4-(3-chloro-4-fluoroanilino)piperidin-2-ol
SMILESOC1CC(Nc2ccc(F)c(Cl)c2)CCN1
InChIInChI=1S/C11H14ClFN2O/c12-9-5-7(1-2-10(9)13)15-8-3-4-14-11(16)6-8/h1-2,5,8,11,14-16H,3-4,6H2
InChIKeyXRULMUFLDRJPTI-UHFFFAOYSA-N
XLogP1.96
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.70
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-fluorophenyl)-2-piperidin-4-ylpiperidin-4-amine
CID 173310359
2-(4-aminopiperidin-1-yl)-N-(3-chloro-4-fluorophenyl)piperidin-4-amine
CID 173310347
N-(3-chloro-4-fluorophenyl)-2-piperidin-1-ylpiperidin-4-amine
CID 173310436
3-chloro-N-cyclopentyl-4-fluoroaniline
CID 28938400
N-(3-chloro-4-fluorophenyl)-1,1-dioxothian-4-amine
CID 43511704
N-(3-chloro-4-fluorophenyl)spiro[4.5]decan-8-amine
CID 114817207
5-chloro-N-(3-chloro-4-fluorophenyl)-2,3-dihydro-1H-inden-2-amine
CID 115348720
N-(3-chloro-4-fluorophenyl)-N'-(piperidine-4-carbonyl)oxamide
CID 108530544
3-chloro-4-fluoro-N-[4-(2-methylbutan-2-yl)cyclohexyl]aniline
CID 63422035
3-chloro-N-(2-cyclohexylcyclohexyl)-4-fluoroaniline
CID 63421987
4-chloro-N-(3-cyclopropylcyclohexyl)-3-fluoroaniline
CID 64594863
6-bromo-N-(3-chloro-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63625335

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-fluoroanilino)piperidin-2-ol?
The IUPAC name of 4-(3-chloro-4-fluoroanilino)piperidin-2-ol (CID 173310295) is 4-(3-chloro-4-fluoroanilino)piperidin-2-ol.
What is the SMILES notation for 4-(3-chloro-4-fluoroanilino)piperidin-2-ol?
The canonical SMILES for 4-(3-chloro-4-fluoroanilino)piperidin-2-ol is OC1CC(Nc2ccc(F)c(Cl)c2)CCN1.
What is the InChIKey of 4-(3-chloro-4-fluoroanilino)piperidin-2-ol?
The InChIKey is XRULMUFLDRJPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2O/c12-9-5-7(1-2-10(9)13)15-8-3-4-14-11(16)6-8/h1-2,5,8,11,14-16H,3-4,6H2.
What are the key properties of 4-(3-chloro-4-fluoroanilino)piperidin-2-ol?
4-(3-chloro-4-fluoroanilino)piperidin-2-ol has a molecular weight of 244.70 g/mol, XLogP of 1.96, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-fluoroanilino)piperidin-2-ol is sourced from PubChem (CID 173310295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).