(1S)-1-[2-fluoro-6-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]phenyl]ethanol

C16H25FN2O — CID 78941206

IUPAC(1S)-1-[2-fluoro-6-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]phenyl]ethanol
SMILESC[C@H](O)c1c(F)cccc1N(C)CC1CCN(C)CC1
InChIInChI=1S/C16H25FN2O/c1-12(20)16-14(17)5-4-6-15(16)19(3)11-13-7-9-18(2)10-8-13/h4-6,12-13,20H,7-11H2,1-3H3/t12-/m0/s1
InChIKeySNALZBCHZGYWNL-LBPRGKRZSA-N
MW280.39 g/mol
LogP2.66
Rot. Bonds4

About (1S)-1-[2-fluoro-6-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]phenyl]ethanol

(1S)-1-[2-fluoro-6-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]phenyl]ethanol (PubChem CID 78941206) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is (1S)-1-[2-fluoro-6-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-fluoro-6-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]phenyl]ethanol
PubChem CID78941206
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name(1S)-1-[2-fluoro-6-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]phenyl]ethanol
SMILESC[C@H](O)c1c(F)cccc1N(C)CC1CCN(C)CC1
InChIInChI=1S/C16H25FN2O/c1-12(20)16-14(17)5-4-6-15(16)19(3)11-13-7-9-18(2)10-8-13/h4-6,12-13,20H,7-11H2,1-3H3/t12-/m0/s1
InChIKeySNALZBCHZGYWNL-LBPRGKRZSA-N
XLogP2.66
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-fluoro-6-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]phenyl]ethanol?
The IUPAC name of (1S)-1-[2-fluoro-6-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]phenyl]ethanol (CID 78941206) is (1S)-1-[2-fluoro-6-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]phenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-fluoro-6-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]phenyl]ethanol?
The canonical SMILES for (1S)-1-[2-fluoro-6-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]phenyl]ethanol is C[C@H](O)c1c(F)cccc1N(C)CC1CCN(C)CC1.
What is the InChIKey of (1S)-1-[2-fluoro-6-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]phenyl]ethanol?
The InChIKey is SNALZBCHZGYWNL-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-12(20)16-14(17)5-4-6-15(16)19(3)11-13-7-9-18(2)10-8-13/h4-6,12-13,20H,7-11H2,1-3H3/t12-/m0/s1.
What are the key properties of (1S)-1-[2-fluoro-6-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]phenyl]ethanol?
(1S)-1-[2-fluoro-6-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]phenyl]ethanol has a molecular weight of 280.39 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-fluoro-6-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]phenyl]ethanol is sourced from PubChem (CID 78941206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).