(2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol

C18H27FN2O3 — CID 31263826

IUPAC(2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol
SMILESO[C@@H](COC[C@H]1CCCO1)CN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C18H27FN2O3/c19-15-3-5-16(6-4-15)21-9-7-20(8-10-21)12-17(22)13-23-14-18-2-1-11-24-18/h3-6,17-18,22H,1-2,7-14H2/t17-,18-/m1/s1
InChIKeyVNJZFNLEGRFFSN-QZTJIDSGSA-N
MW338.42 g/mol
LogP1.50
Rot. Bonds7

About (2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol

(2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol (PubChem CID 31263826) has the molecular formula C18H27FN2O3 and a molecular weight of 338.42 g/mol. Its IUPAC name is (2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol
PubChem CID31263826
Molecular FormulaC18H27FN2O3
Molecular Weight338.42 g/mol
Exact Mass338.20
IUPAC Name(2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol
SMILESO[C@@H](COC[C@H]1CCCO1)CN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C18H27FN2O3/c19-15-3-5-16(6-4-15)21-9-7-20(8-10-21)12-17(22)13-23-14-18-2-1-11-24-18/h3-6,17-18,22H,1-2,7-14H2/t17-,18-/m1/s1
InChIKeyVNJZFNLEGRFFSN-QZTJIDSGSA-N
XLogP1.50
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol with MolForge

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Related Compounds

(2S)-1-cyclopentyloxy-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 42588067
(2S)-1-[4-[(2S)-2-hydroxy-3-[[(2R)-oxolan-2-yl]methoxy]propyl]piperazin-1-yl]-3,3-dimethylbutan-2-ol
CID 124823947
4-[1-[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]piperidin-4-yl]phenol
CID 78836914
(2R)-1-[[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]methoxy]-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 98184757
1-butoxy-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 3667051
(2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-prop-2-enoxypropan-2-ol
CID 29132325
1-cyclohexyloxy-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol;dihydrochloride
CID 44782587
1-(4,4-dimethylazepan-1-yl)-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 111462766
1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 75386813
1-[4-(2,5-dibromophenyl)sulfonylpiperazin-1-yl]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 5219339
ethyl 4-[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]piperazine-1-carboxylate
CID 56777653
N-[1-[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]piperidin-4-yl]benzamide
CID 42928020

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol?
The IUPAC name of (2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol (CID 31263826) is (2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol.
What is the SMILES notation for (2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol?
The canonical SMILES for (2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol is O[C@@H](COC[C@H]1CCCO1)CN1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of (2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol?
The InChIKey is VNJZFNLEGRFFSN-QZTJIDSGSA-N. The full InChI is InChI=1S/C18H27FN2O3/c19-15-3-5-16(6-4-15)21-9-7-20(8-10-21)12-17(22)13-23-14-18-2-1-11-24-18/h3-6,17-18,22H,1-2,7-14H2/t17-,18-/m1/s1.
What are the key properties of (2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol?
(2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol has a molecular weight of 338.42 g/mol, XLogP of 1.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol is sourced from PubChem (CID 31263826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).