(2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]-3-[(3-methoxyphenyl)methoxy]propan-2-ol

C21H27FN2O3 — CID 2125971

IUPAC(2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]-3-[(3-methoxyphenyl)methoxy]propan-2-ol
SMILESCOc1cccc(COC[C@@H](O)CN2CCN(c3ccccc3F)CC2)c1
InChIInChI=1S/C21H27FN2O3/c1-26-19-6-4-5-17(13-19)15-27-16-18(25)14-23-9-11-24(12-10-23)21-8-3-2-7-20(21)22/h2-8,13,18,25H,9-12,14-16H2,1H3/t18-/m0/s1
InChIKeySOZCZMPBYDMCTA-SFHVURJKSA-N
MW374.46 g/mol
LogP2.53
Rot. Bonds8

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

(2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]-3-[(3-methoxyphenyl)methoxy]propan-2-ol (PubChem CID 2125971) has the molecular formula C21H27FN2O3 and a molecular weight of 374.46 g/mol. Its IUPAC name is (2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]-3-[(3-methoxyphenyl)methoxy]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]-3-[(3-methoxyphenyl)methoxy]propan-2-ol
PubChem CID2125971
Molecular FormulaC21H27FN2O3
Molecular Weight374.46 g/mol
Exact Mass374.20
IUPAC Name(2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]-3-[(3-methoxyphenyl)methoxy]propan-2-ol
SMILESCOc1cccc(COC[C@@H](O)CN2CCN(c3ccccc3F)CC2)c1
InChIInChI=1S/C21H27FN2O3/c1-26-19-6-4-5-17(13-19)15-27-16-18(25)14-23-9-11-24(12-10-23)21-8-3-2-7-20(21)22/h2-8,13,18,25H,9-12,14-16H2,1H3/t18-/m0/s1
InChIKeySOZCZMPBYDMCTA-SFHVURJKSA-N
XLogP2.53
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-[4-[2-hydroxy-3-[(3-methoxyphenyl)methoxy]propyl]piperazin-1-yl]phenol
CID 78782848
(2R)-1-[(4-chlorophenyl)methoxy]-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 1227221
1-[(3-methoxyphenyl)methoxy]-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propan-2-ol
CID 134055442
1-[4-(2-methylsulfanylphenyl)piperazin-1-yl]-3-phenylmethoxypropan-2-ol
CID 3769428
1-[(3-methoxyphenyl)methoxy]-3-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-2-ol
CID 42934903
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-[(3,4,5-trimethoxyphenyl)methoxy]propan-2-ol dichloride
CID 21237473
[4-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 55572387
1-(4-ethylphenoxy)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol;dihydrochloride
CID 2770619
(1S)-2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanol
CID 7036660
(2R)-1-[(3-methoxyphenyl)methoxy]-3-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propan-2-ol
CID 100835770
1-[(3-methoxyphenyl)methoxy]-3-(4-pyrazol-1-ylpiperidin-1-yl)propan-2-ol
CID 111110705
(2R)-1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(4-propylphenoxy)propan-2-ol
CID 1039014

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]-3-[(3-methoxyphenyl)methoxy]propan-2-ol?
The IUPAC name of (2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]-3-[(3-methoxyphenyl)methoxy]propan-2-ol (CID 2125971) is (2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]-3-[(3-methoxyphenyl)methoxy]propan-2-ol.
What is the SMILES notation for (2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]-3-[(3-methoxyphenyl)methoxy]propan-2-ol?
The canonical SMILES for (2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]-3-[(3-methoxyphenyl)methoxy]propan-2-ol is COc1cccc(COC[C@@H](O)CN2CCN(c3ccccc3F)CC2)c1.
What is the InChIKey of (2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]-3-[(3-methoxyphenyl)methoxy]propan-2-ol?
The InChIKey is SOZCZMPBYDMCTA-SFHVURJKSA-N. The full InChI is InChI=1S/C21H27FN2O3/c1-26-19-6-4-5-17(13-19)15-27-16-18(25)14-23-9-11-24(12-10-23)21-8-3-2-7-20(21)22/h2-8,13,18,25H,9-12,14-16H2,1H3/t18-/m0/s1.
What are the key properties of (2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]-3-[(3-methoxyphenyl)methoxy]propan-2-ol?
(2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]-3-[(3-methoxyphenyl)methoxy]propan-2-ol has a molecular weight of 374.46 g/mol, XLogP of 2.53, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]-3-[(3-methoxyphenyl)methoxy]propan-2-ol is sourced from PubChem (CID 2125971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).