2-[(2R)-1-[(4-fluorophenyl)methyl]-4-(5-propan-2-ylpyrimidin-4-yl)piperazin-2-yl]ethanol

C20H27FN4O — CID 95880696

IUPAC2-[(2R)-1-[(4-fluorophenyl)methyl]-4-(5-propan-2-ylpyrimidin-4-yl)piperazin-2-yl]ethanol
SMILESCC(C)c1cncnc1N1CCN(Cc2ccc(F)cc2)[C@H](CCO)C1
InChIInChI=1S/C20H27FN4O/c1-15(2)19-11-22-14-23-20(19)25-9-8-24(18(13-25)7-10-26)12-16-3-5-17(21)6-4-16/h3-6,11,14-15,18,26H,7-10,12-13H2,1-2H3/t18-/m1/s1
InChIKeyVXPDETVSGUKEGA-GOSISDBHSA-N
MW358.46 g/mol
LogP2.81
Rot. Bonds6

About 2-[(2R)-1-[(4-fluorophenyl)methyl]-4-(5-propan-2-ylpyrimidin-4-yl)piperazin-2-yl]ethanol

2-[(2R)-1-[(4-fluorophenyl)methyl]-4-(5-propan-2-ylpyrimidin-4-yl)piperazin-2-yl]ethanol (PubChem CID 95880696) has the molecular formula C20H27FN4O and a molecular weight of 358.46 g/mol. Its IUPAC name is 2-[(2R)-1-[(4-fluorophenyl)methyl]-4-(5-propan-2-ylpyrimidin-4-yl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2R)-1-[(4-fluorophenyl)methyl]-4-(5-propan-2-ylpyrimidin-4-yl)piperazin-2-yl]ethanol
PubChem CID95880696
Molecular FormulaC20H27FN4O
Molecular Weight358.46 g/mol
Exact Mass358.22
IUPAC Name2-[(2R)-1-[(4-fluorophenyl)methyl]-4-(5-propan-2-ylpyrimidin-4-yl)piperazin-2-yl]ethanol
SMILESCC(C)c1cncnc1N1CCN(Cc2ccc(F)cc2)[C@H](CCO)C1
InChIInChI=1S/C20H27FN4O/c1-15(2)19-11-22-14-23-20(19)25-9-8-24(18(13-25)7-10-26)12-16-3-5-17(21)6-4-16/h3-6,11,14-15,18,26H,7-10,12-13H2,1-2H3/t18-/m1/s1
InChIKeyVXPDETVSGUKEGA-GOSISDBHSA-N
XLogP2.81
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2R)-1-[(4-fluorophenyl)methyl]-4-(2-methylpropyl)piperazin-2-yl]ethanol
CID 51622986
2-[(2R)-1-[(4-methylphenyl)methyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-2-yl]ethanol
CID 98769968
2-[1-[(4-fluorophenyl)methyl]-4-[(2-methyl-1H-imidazol-5-yl)methyl]piperazin-2-yl]ethanol
CID 45185727
2-[(2R)-4-(3-chloro-2-pyridinyl)-1-[(4-ethoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 98769675
4-[[4-[(4-fluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol
CID 45177405
[(3S)-4-[(4-fluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 95872393
2-[4-(cyclopropylmethyl)-1-[(4-fluorophenyl)methyl]piperazin-2-yl]ethanol
CID 45210114
2-[4-cyclohexyl-1-[(4-fluorophenyl)methyl]piperazin-2-yl]ethanol
CID 45233166
2-[(2S)-1-[(4-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 51635847
2-[[(3S)-4-[(4-fluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol
CID 30868105
2-[4-[[4-(difluoromethoxy)phenyl]methyl]-1-[(4-fluorophenyl)methyl]piperazin-2-yl]ethanol
CID 45205105
2-[1-[(4-fluorophenyl)methyl]-4-(quinolin-6-ylmethyl)piperazin-2-yl]ethanol
CID 45177358

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-[(4-fluorophenyl)methyl]-4-(5-propan-2-ylpyrimidin-4-yl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[(2R)-1-[(4-fluorophenyl)methyl]-4-(5-propan-2-ylpyrimidin-4-yl)piperazin-2-yl]ethanol (CID 95880696) is 2-[(2R)-1-[(4-fluorophenyl)methyl]-4-(5-propan-2-ylpyrimidin-4-yl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2R)-1-[(4-fluorophenyl)methyl]-4-(5-propan-2-ylpyrimidin-4-yl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2R)-1-[(4-fluorophenyl)methyl]-4-(5-propan-2-ylpyrimidin-4-yl)piperazin-2-yl]ethanol is CC(C)c1cncnc1N1CCN(Cc2ccc(F)cc2)[C@H](CCO)C1.
What is the InChIKey of 2-[(2R)-1-[(4-fluorophenyl)methyl]-4-(5-propan-2-ylpyrimidin-4-yl)piperazin-2-yl]ethanol?
The InChIKey is VXPDETVSGUKEGA-GOSISDBHSA-N. The full InChI is InChI=1S/C20H27FN4O/c1-15(2)19-11-22-14-23-20(19)25-9-8-24(18(13-25)7-10-26)12-16-3-5-17(21)6-4-16/h3-6,11,14-15,18,26H,7-10,12-13H2,1-2H3/t18-/m1/s1.
What are the key properties of 2-[(2R)-1-[(4-fluorophenyl)methyl]-4-(5-propan-2-ylpyrimidin-4-yl)piperazin-2-yl]ethanol?
2-[(2R)-1-[(4-fluorophenyl)methyl]-4-(5-propan-2-ylpyrimidin-4-yl)piperazin-2-yl]ethanol has a molecular weight of 358.46 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-[(4-fluorophenyl)methyl]-4-(5-propan-2-ylpyrimidin-4-yl)piperazin-2-yl]ethanol is sourced from PubChem (CID 95880696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).