(1R)-1-[4-(4-ethyl-4-methylpiperidin-1-yl)-3-fluorophenyl]ethanol

C16H24FNO — CID 78941130

IUPAC(1R)-1-[4-(4-ethyl-4-methylpiperidin-1-yl)-3-fluorophenyl]ethanol
SMILESCCC1(C)CCN(c2ccc([C@@H](C)O)cc2F)CC1
InChIInChI=1S/C16H24FNO/c1-4-16(3)7-9-18(10-8-16)15-6-5-13(12(2)19)11-14(15)17/h5-6,11-12,19H,4,7-10H2,1-3H3/t12-/m1/s1
InChIKeyIAPNCVDOKYYELL-GFCCVEGCSA-N
MW265.37 g/mol
LogP3.90
Rot. Bonds3

About (1R)-1-[4-(4-ethyl-4-methylpiperidin-1-yl)-3-fluorophenyl]ethanol

(1R)-1-[4-(4-ethyl-4-methylpiperidin-1-yl)-3-fluorophenyl]ethanol (PubChem CID 78941130) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is (1R)-1-[4-(4-ethyl-4-methylpiperidin-1-yl)-3-fluorophenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-(4-ethyl-4-methylpiperidin-1-yl)-3-fluorophenyl]ethanol
PubChem CID78941130
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name(1R)-1-[4-(4-ethyl-4-methylpiperidin-1-yl)-3-fluorophenyl]ethanol
SMILESCCC1(C)CCN(c2ccc([C@@H](C)O)cc2F)CC1
InChIInChI=1S/C16H24FNO/c1-4-16(3)7-9-18(10-8-16)15-6-5-13(12(2)19)11-14(15)17/h5-6,11-12,19H,4,7-10H2,1-3H3/t12-/m1/s1
InChIKeyIAPNCVDOKYYELL-GFCCVEGCSA-N
XLogP3.90
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

1-[3-bromo-4-(4-ethyl-4-methylpiperidin-1-yl)phenyl]ethanol
CID 63158863
(1S)-1-[4-(8-azaspiro[4.5]decan-8-yl)-3-fluorophenyl]ethanol
CID 78941148
(1S)-1-[4-(7,7-dimethyl-1,4-thiazepan-4-yl)-3-fluorophenyl]ethanol
CID 107456630
1-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]ethanol
CID 43505896
(1S)-1-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]ethanol
CID 78939132
1-[1-[2-fluoro-4-(1-hydroxyethyl)phenyl]piperidin-4-yl]ethanol
CID 106836510
1-[2-fluoro-4-(1-hydroxyethyl)phenyl]piperidin-4-ol
CID 43506027
(1S)-1-[3-fluoro-4-[4-(trifluoromethyl)piperidin-1-yl]phenyl]ethanol
CID 79010590
4-(4-ethyl-4-methylpiperidin-1-yl)-3-fluorobenzonitrile
CID 62732718
ethyl 4-[2-fluoro-4-[(1S)-1-hydroxyethyl]phenyl]piperazine-1-carboxylate
CID 107877221
(1S)-1-[2-(4-ethyl-4-methylpiperidin-1-yl)phenyl]ethanol
CID 78941147
(1R)-1-[3-fluoro-4-(1,4-oxazepan-4-yl)phenyl]ethanol
CID 78941064

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-(4-ethyl-4-methylpiperidin-1-yl)-3-fluorophenyl]ethanol?
The IUPAC name of (1R)-1-[4-(4-ethyl-4-methylpiperidin-1-yl)-3-fluorophenyl]ethanol (CID 78941130) is (1R)-1-[4-(4-ethyl-4-methylpiperidin-1-yl)-3-fluorophenyl]ethanol.
What is the SMILES notation for (1R)-1-[4-(4-ethyl-4-methylpiperidin-1-yl)-3-fluorophenyl]ethanol?
The canonical SMILES for (1R)-1-[4-(4-ethyl-4-methylpiperidin-1-yl)-3-fluorophenyl]ethanol is CCC1(C)CCN(c2ccc([C@@H](C)O)cc2F)CC1.
What is the InChIKey of (1R)-1-[4-(4-ethyl-4-methylpiperidin-1-yl)-3-fluorophenyl]ethanol?
The InChIKey is IAPNCVDOKYYELL-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H24FNO/c1-4-16(3)7-9-18(10-8-16)15-6-5-13(12(2)19)11-14(15)17/h5-6,11-12,19H,4,7-10H2,1-3H3/t12-/m1/s1.
What are the key properties of (1R)-1-[4-(4-ethyl-4-methylpiperidin-1-yl)-3-fluorophenyl]ethanol?
(1R)-1-[4-(4-ethyl-4-methylpiperidin-1-yl)-3-fluorophenyl]ethanol has a molecular weight of 265.37 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-(4-ethyl-4-methylpiperidin-1-yl)-3-fluorophenyl]ethanol is sourced from PubChem (CID 78941130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).