1-[2-(3-chloro-2-fluorophenyl)ethyl]-2-methylpiperidin-4-ol

C14H19ClFNO — CID 155302706

IUPAC1-[2-(3-chloro-2-fluorophenyl)ethyl]-2-methylpiperidin-4-ol
SMILESCC1CC(O)CCN1CCc1cccc(Cl)c1F
InChIInChI=1S/C14H19ClFNO/c1-10-9-12(18)6-8-17(10)7-5-11-3-2-4-13(15)14(11)16/h2-4,10,12,18H,5-9H2,1H3
InChIKeyGKODHHNJRJXVOR-UHFFFAOYSA-N
MW271.76 g/mol
LogP2.87
Rot. Bonds3

About 1-[2-(3-chloro-2-fluorophenyl)ethyl]-2-methylpiperidin-4-ol

1-[2-(3-chloro-2-fluorophenyl)ethyl]-2-methylpiperidin-4-ol (PubChem CID 155302706) has the molecular formula C14H19ClFNO and a molecular weight of 271.76 g/mol. Its IUPAC name is 1-[2-(3-chloro-2-fluorophenyl)ethyl]-2-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[2-(3-chloro-2-fluorophenyl)ethyl]-2-methylpiperidin-4-ol
PubChem CID155302706
Molecular FormulaC14H19ClFNO
Molecular Weight271.76 g/mol
Exact Mass271.11
IUPAC Name1-[2-(3-chloro-2-fluorophenyl)ethyl]-2-methylpiperidin-4-ol
SMILESCC1CC(O)CCN1CCc1cccc(Cl)c1F
InChIInChI=1S/C14H19ClFNO/c1-10-9-12(18)6-8-17(10)7-5-11-3-2-4-13(15)14(11)16/h2-4,10,12,18H,5-9H2,1H3
InChIKeyGKODHHNJRJXVOR-UHFFFAOYSA-N
XLogP2.87
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.76
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chloro-2-fluorophenyl)ethyl]-2-methylpiperidin-4-ol?
The IUPAC name of 1-[2-(3-chloro-2-fluorophenyl)ethyl]-2-methylpiperidin-4-ol (CID 155302706) is 1-[2-(3-chloro-2-fluorophenyl)ethyl]-2-methylpiperidin-4-ol.
What is the SMILES notation for 1-[2-(3-chloro-2-fluorophenyl)ethyl]-2-methylpiperidin-4-ol?
The canonical SMILES for 1-[2-(3-chloro-2-fluorophenyl)ethyl]-2-methylpiperidin-4-ol is CC1CC(O)CCN1CCc1cccc(Cl)c1F.
What is the InChIKey of 1-[2-(3-chloro-2-fluorophenyl)ethyl]-2-methylpiperidin-4-ol?
The InChIKey is GKODHHNJRJXVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNO/c1-10-9-12(18)6-8-17(10)7-5-11-3-2-4-13(15)14(11)16/h2-4,10,12,18H,5-9H2,1H3.
What are the key properties of 1-[2-(3-chloro-2-fluorophenyl)ethyl]-2-methylpiperidin-4-ol?
1-[2-(3-chloro-2-fluorophenyl)ethyl]-2-methylpiperidin-4-ol has a molecular weight of 271.76 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chloro-2-fluorophenyl)ethyl]-2-methylpiperidin-4-ol is sourced from PubChem (CID 155302706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).