(2R)-1-[4-[[[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]methyl]piperidin-1-yl]propan-2-ol

C18H29FN2O2 — CID 100840896

IUPAC(2R)-1-[4-[[[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]methyl]piperidin-1-yl]propan-2-ol
SMILESC[C@@H](O)CN1CCC(CN(C)C[C@@H](O)c2ccc(F)cc2)CC1
InChIInChI=1S/C18H29FN2O2/c1-14(22)11-21-9-7-15(8-10-21)12-20(2)13-18(23)16-3-5-17(19)6-4-16/h3-6,14-15,18,22-23H,7-13H2,1-2H3/t14-,18-/m1/s1
InChIKeyREARDKSSSHKOOP-RDTXWAMCSA-N
MW324.44 g/mol
LogP1.88
Rot. Bonds7

About (2R)-1-[4-[[[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]methyl]piperidin-1-yl]propan-2-ol

(2R)-1-[4-[[[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]methyl]piperidin-1-yl]propan-2-ol (PubChem CID 100840896) has the molecular formula C18H29FN2O2 and a molecular weight of 324.44 g/mol. Its IUPAC name is (2R)-1-[4-[[[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]methyl]piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[4-[[[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]methyl]piperidin-1-yl]propan-2-ol
PubChem CID100840896
Molecular FormulaC18H29FN2O2
Molecular Weight324.44 g/mol
Exact Mass324.22
IUPAC Name(2R)-1-[4-[[[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]methyl]piperidin-1-yl]propan-2-ol
SMILESC[C@@H](O)CN1CCC(CN(C)C[C@@H](O)c2ccc(F)cc2)CC1
InChIInChI=1S/C18H29FN2O2/c1-14(22)11-21-9-7-15(8-10-21)12-20(2)13-18(23)16-3-5-17(19)6-4-16/h3-6,14-15,18,22-23H,7-13H2,1-2H3/t14-,18-/m1/s1
InChIKeyREARDKSSSHKOOP-RDTXWAMCSA-N
XLogP1.88
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.44
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 4374
Methylephedrine
CID 64782
Glemanserin
CID 71781
Hexocyclium
CID 24199
Benzenemethanol, alpha-(1-(dimethylamino)ethyl)-, hydrochloride, (R*,S*)-(+-)-
CID 198190
3-(Dimethylamino)-1-phenylpropan-1-ol
CID 110665
Lobelanidine
CID 442646
(1S,2S)-(+)-N-Methylpseudoephedrine
CID 7059596
Etafedrine
CID 94532
Cinnamedrine
CID 5370611
[1-[2-(4-Fluorophenyl)ethyl]piperidin-4-yl]-phenylmethanol
CID 44363475
4-Morpholineethanol, alpha-phenyl-
CID 20491

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-[[[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]methyl]piperidin-1-yl]propan-2-ol?
The IUPAC name of (2R)-1-[4-[[[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]methyl]piperidin-1-yl]propan-2-ol (CID 100840896) is (2R)-1-[4-[[[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]methyl]piperidin-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-[4-[[[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]methyl]piperidin-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1-[4-[[[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]methyl]piperidin-1-yl]propan-2-ol is C[C@@H](O)CN1CCC(CN(C)C[C@@H](O)c2ccc(F)cc2)CC1.
What is the InChIKey of (2R)-1-[4-[[[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]methyl]piperidin-1-yl]propan-2-ol?
The InChIKey is REARDKSSSHKOOP-RDTXWAMCSA-N. The full InChI is InChI=1S/C18H29FN2O2/c1-14(22)11-21-9-7-15(8-10-21)12-20(2)13-18(23)16-3-5-17(19)6-4-16/h3-6,14-15,18,22-23H,7-13H2,1-2H3/t14-,18-/m1/s1.
What are the key properties of (2R)-1-[4-[[[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]methyl]piperidin-1-yl]propan-2-ol?
(2R)-1-[4-[[[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]methyl]piperidin-1-yl]propan-2-ol has a molecular weight of 324.44 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-[[[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]methyl]piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 100840896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).