(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

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

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Related Compounds

(2R)-1-[4-[[[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 100840898
2-[(1-benzylpyrrolidin-3-yl)methyl-methylamino]-1-(4-fluorophenyl)ethanol
CID 111490262
2-[cyclopropylmethyl(methyl)amino]-1-(4-propan-2-ylphenyl)ethanol
CID 54949329
2-[cyclobutylmethyl(methyl)amino]-1-(4-propan-2-ylphenyl)ethanol
CID 55125907
1-[[2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]-3-morpholin-4-ylpropan-2-ol
CID 111423789
4-[[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]methyl]benzonitrile
CID 95313414
2-[cyclopropylmethyl(methyl)amino]-1-phenylethanol
CID 60971117
2-[cyclopropylmethyl(methyl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol
CID 54949285
(2R)-1-[4-[[methyl(2-pyridin-4-ylethyl)amino]methyl]piperidin-1-yl]propan-2-ol
CID 95318062
(1R)-1-(4-fluorophenyl)-2-[methyl-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]ethanol
CID 129342919
1-[[2-(4-fluorophenyl)-2-hydroxyethyl]-propan-2-ylamino]propan-2-ol
CID 111107929
1-(4-fluorophenyl)-2-(4-methoxypiperidin-1-yl)ethanol
CID 110883521

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).