1-(2-chloro-3-fluorophenyl)-2-piperidin-3-ylpropan-2-ol

C14H19ClFNO — CID 112652978

IUPAC1-(2-chloro-3-fluorophenyl)-2-piperidin-3-ylpropan-2-ol
SMILESCC(O)(Cc1cccc(F)c1Cl)C1CCCNC1
InChIInChI=1S/C14H19ClFNO/c1-14(18,11-5-3-7-17-9-11)8-10-4-2-6-12(16)13(10)15/h2,4,6,11,17-18H,3,5,7-9H2,1H3
InChIKeyYBUHELMYOGQZKN-UHFFFAOYSA-N
MW271.76 g/mol
LogP2.77
Rot. Bonds3

About 1-(2-chloro-3-fluorophenyl)-2-piperidin-3-ylpropan-2-ol

1-(2-chloro-3-fluorophenyl)-2-piperidin-3-ylpropan-2-ol (PubChem CID 112652978) has the molecular formula C14H19ClFNO and a molecular weight of 271.76 g/mol. Its IUPAC name is 1-(2-chloro-3-fluorophenyl)-2-piperidin-3-ylpropan-2-ol.

Molecular Properties

Compound Name1-(2-chloro-3-fluorophenyl)-2-piperidin-3-ylpropan-2-ol
PubChem CID112652978
Molecular FormulaC14H19ClFNO
Molecular Weight271.76 g/mol
Exact Mass271.11
IUPAC Name1-(2-chloro-3-fluorophenyl)-2-piperidin-3-ylpropan-2-ol
SMILESCC(O)(Cc1cccc(F)c1Cl)C1CCCNC1
InChIInChI=1S/C14H19ClFNO/c1-14(18,11-5-3-7-17-9-11)8-10-4-2-6-12(16)13(10)15/h2,4,6,11,17-18H,3,5,7-9H2,1H3
InChIKeyYBUHELMYOGQZKN-UHFFFAOYSA-N
XLogP2.77
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.76
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-3-fluorophenyl)-2-cyclopropylpropan-2-ol
CID 112652956
1-(2-chloro-4-methylphenyl)-2-piperidin-3-ylpropan-2-ol
CID 106866125
1-(5-chloro-2-methoxyphenyl)-2-piperidin-3-ylpropan-2-ol
CID 65145742
1-(2-fluorophenyl)-2-piperidin-4-ylpropan-2-ol
CID 105499385
1-(2-bromo-3-fluorophenyl)-3-methyl-3-piperidin-3-ylbutan-2-one
CID 116611257
1-(1-benzothiophen-3-yl)-2-piperidin-3-ylpropan-2-ol
CID 65145479
1-(2-chloro-3-fluorophenyl)-6,6,6-trifluoro-2-methylhexan-2-ol
CID 116535931
1-amino-3-(2-chloro-3-fluorophenyl)-2-cyclopropylpropan-2-ol
CID 112653170
1-(2-chloro-3-fluorophenyl)-2-methylheptan-2-ol
CID 112653134
N-[(2-chloro-3-fluorophenyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106637313
2-[(2-chloro-3-fluorophenyl)methyl]pyrrolidine
CID 112654463
2-cyclohexyl-1-naphthalen-1-ylpropan-2-ol
CID 114795042

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-fluorophenyl)-2-piperidin-3-ylpropan-2-ol?
The IUPAC name of 1-(2-chloro-3-fluorophenyl)-2-piperidin-3-ylpropan-2-ol (CID 112652978) is 1-(2-chloro-3-fluorophenyl)-2-piperidin-3-ylpropan-2-ol.
What is the SMILES notation for 1-(2-chloro-3-fluorophenyl)-2-piperidin-3-ylpropan-2-ol?
The canonical SMILES for 1-(2-chloro-3-fluorophenyl)-2-piperidin-3-ylpropan-2-ol is CC(O)(Cc1cccc(F)c1Cl)C1CCCNC1.
What is the InChIKey of 1-(2-chloro-3-fluorophenyl)-2-piperidin-3-ylpropan-2-ol?
The InChIKey is YBUHELMYOGQZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNO/c1-14(18,11-5-3-7-17-9-11)8-10-4-2-6-12(16)13(10)15/h2,4,6,11,17-18H,3,5,7-9H2,1H3.
What are the key properties of 1-(2-chloro-3-fluorophenyl)-2-piperidin-3-ylpropan-2-ol?
1-(2-chloro-3-fluorophenyl)-2-piperidin-3-ylpropan-2-ol has a molecular weight of 271.76 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-fluorophenyl)-2-piperidin-3-ylpropan-2-ol is sourced from PubChem (CID 112652978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).