2-[1-fluoro-1-(1-methylpiperidin-4-yl)ethyl]phenol

C14H20FNO — CID 115042158

IUPAC2-[1-fluoro-1-(1-methylpiperidin-4-yl)ethyl]phenol
SMILESCN1CCC(C(C)(F)c2ccccc2O)CC1
InChIInChI=1S/C14H20FNO/c1-14(15,11-7-9-16(2)10-8-11)12-5-3-4-6-13(12)17/h3-6,11,17H,7-10H2,1-2H3
InChIKeyGUBLKTVYTISCHZ-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.92
Rot. Bonds2

About 2-[1-fluoro-1-(1-methylpiperidin-4-yl)ethyl]phenol

2-[1-fluoro-1-(1-methylpiperidin-4-yl)ethyl]phenol (PubChem CID 115042158) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 2-[1-fluoro-1-(1-methylpiperidin-4-yl)ethyl]phenol.

Molecular Properties

Compound Name2-[1-fluoro-1-(1-methylpiperidin-4-yl)ethyl]phenol
PubChem CID115042158
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name2-[1-fluoro-1-(1-methylpiperidin-4-yl)ethyl]phenol
SMILESCN1CCC(C(C)(F)c2ccccc2O)CC1
InChIInChI=1S/C14H20FNO/c1-14(15,11-7-9-16(2)10-8-11)12-5-3-4-6-13(12)17/h3-6,11,17H,7-10H2,1-2H3
InChIKeyGUBLKTVYTISCHZ-UHFFFAOYSA-N
XLogP2.92
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-fluoro-1-(1-methylpiperidin-4-yl)ethyl]phenol?
The IUPAC name of 2-[1-fluoro-1-(1-methylpiperidin-4-yl)ethyl]phenol (CID 115042158) is 2-[1-fluoro-1-(1-methylpiperidin-4-yl)ethyl]phenol.
What is the SMILES notation for 2-[1-fluoro-1-(1-methylpiperidin-4-yl)ethyl]phenol?
The canonical SMILES for 2-[1-fluoro-1-(1-methylpiperidin-4-yl)ethyl]phenol is CN1CCC(C(C)(F)c2ccccc2O)CC1.
What is the InChIKey of 2-[1-fluoro-1-(1-methylpiperidin-4-yl)ethyl]phenol?
The InChIKey is GUBLKTVYTISCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-14(15,11-7-9-16(2)10-8-11)12-5-3-4-6-13(12)17/h3-6,11,17H,7-10H2,1-2H3.
What are the key properties of 2-[1-fluoro-1-(1-methylpiperidin-4-yl)ethyl]phenol?
2-[1-fluoro-1-(1-methylpiperidin-4-yl)ethyl]phenol has a molecular weight of 237.32 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-fluoro-1-(1-methylpiperidin-4-yl)ethyl]phenol is sourced from PubChem (CID 115042158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).