2-[(2R)-1-[(4-fluorophenyl)methyl]-4-(3-pyrazol-1-ylpropyl)piperazin-2-yl]ethanol

C19H27FN4O — CID 51636339

IUPAC2-[(2R)-1-[(4-fluorophenyl)methyl]-4-(3-pyrazol-1-ylpropyl)piperazin-2-yl]ethanol
SMILESOCC[C@@H]1CN(CCCn2cccn2)CCN1Cc1ccc(F)cc1
InChIInChI=1S/C19H27FN4O/c20-18-5-3-17(4-6-18)15-23-13-12-22(16-19(23)7-14-25)9-2-11-24-10-1-8-21-24/h1,3-6,8,10,19,25H,2,7,9,11-16H2/t19-/m1/s1
InChIKeyKUSRTVMOAMBBSZ-LJQANCHMSA-N
MW346.45 g/mol
LogP1.98
Rot. Bonds8

About 2-[(2R)-1-[(4-fluorophenyl)methyl]-4-(3-pyrazol-1-ylpropyl)piperazin-2-yl]ethanol

2-[(2R)-1-[(4-fluorophenyl)methyl]-4-(3-pyrazol-1-ylpropyl)piperazin-2-yl]ethanol (PubChem CID 51636339) has the molecular formula C19H27FN4O and a molecular weight of 346.45 g/mol. Its IUPAC name is 2-[(2R)-1-[(4-fluorophenyl)methyl]-4-(3-pyrazol-1-ylpropyl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2R)-1-[(4-fluorophenyl)methyl]-4-(3-pyrazol-1-ylpropyl)piperazin-2-yl]ethanol
PubChem CID51636339
Molecular FormulaC19H27FN4O
Molecular Weight346.45 g/mol
Exact Mass346.22
IUPAC Name2-[(2R)-1-[(4-fluorophenyl)methyl]-4-(3-pyrazol-1-ylpropyl)piperazin-2-yl]ethanol
SMILESOCC[C@@H]1CN(CCCn2cccn2)CCN1Cc1ccc(F)cc1
InChIInChI=1S/C19H27FN4O/c20-18-5-3-17(4-6-18)15-23-13-12-22(16-19(23)7-14-25)9-2-11-24-10-1-8-21-24/h1,3-6,8,10,19,25H,2,7,9,11-16H2/t19-/m1/s1
InChIKeyKUSRTVMOAMBBSZ-LJQANCHMSA-N
XLogP1.98
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2S)-1-[(6-methyl-2-pyridinyl)methyl]-4-(3-pyrazol-1-ylpropyl)piperazin-2-yl]ethanol
CID 51635125
2-[1-[(5-methylfuran-2-yl)methyl]-4-(3-pyrazol-1-ylpropyl)piperazin-2-yl]ethanol
CID 45169245
4-[[4-[(4-fluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol
CID 45177405
2-[(2R)-1-benzyl-4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-2-yl]ethanol
CID 92764868
2-[[(3S)-4-[(4-fluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol
CID 30868105
2-[4-(cyclopropylmethyl)-1-[(4-fluorophenyl)methyl]piperazin-2-yl]ethanol
CID 45210114
2-[(2S)-1-[(4-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 51635847
2-[1-[(4-fluorophenyl)methyl]-4-(quinolin-6-ylmethyl)piperazin-2-yl]ethanol
CID 45177358
2-[(2R)-1-[(4-fluorophenyl)methyl]-4-(2-methylpropyl)piperazin-2-yl]ethanol
CID 51622986
2-[4-[[4-(difluoromethoxy)phenyl]methyl]-1-[(4-fluorophenyl)methyl]piperazin-2-yl]ethanol
CID 45205105
2-chloro-4-[[4-[(4-fluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol
CID 45182941
2-[1-[(3,4-difluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazin-2-yl]ethanol
CID 45224474

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-[(4-fluorophenyl)methyl]-4-(3-pyrazol-1-ylpropyl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[(2R)-1-[(4-fluorophenyl)methyl]-4-(3-pyrazol-1-ylpropyl)piperazin-2-yl]ethanol (CID 51636339) is 2-[(2R)-1-[(4-fluorophenyl)methyl]-4-(3-pyrazol-1-ylpropyl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2R)-1-[(4-fluorophenyl)methyl]-4-(3-pyrazol-1-ylpropyl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2R)-1-[(4-fluorophenyl)methyl]-4-(3-pyrazol-1-ylpropyl)piperazin-2-yl]ethanol is OCC[C@@H]1CN(CCCn2cccn2)CCN1Cc1ccc(F)cc1.
What is the InChIKey of 2-[(2R)-1-[(4-fluorophenyl)methyl]-4-(3-pyrazol-1-ylpropyl)piperazin-2-yl]ethanol?
The InChIKey is KUSRTVMOAMBBSZ-LJQANCHMSA-N. The full InChI is InChI=1S/C19H27FN4O/c20-18-5-3-17(4-6-18)15-23-13-12-22(16-19(23)7-14-25)9-2-11-24-10-1-8-21-24/h1,3-6,8,10,19,25H,2,7,9,11-16H2/t19-/m1/s1.
What are the key properties of 2-[(2R)-1-[(4-fluorophenyl)methyl]-4-(3-pyrazol-1-ylpropyl)piperazin-2-yl]ethanol?
2-[(2R)-1-[(4-fluorophenyl)methyl]-4-(3-pyrazol-1-ylpropyl)piperazin-2-yl]ethanol has a molecular weight of 346.45 g/mol, XLogP of 1.98, 8 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-(3-pyrazol-1-ylpropyl)piperazin-2-yl]ethanol is sourced from PubChem (CID 51636339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).