2-[(2R)-4-[(2,4-difluorophenyl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol

C21H33F2N3O — CID 98578927

IUPAC2-[(2R)-4-[(2,4-difluorophenyl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
SMILESCC(C)N1CCC(N2CCN(Cc3ccc(F)cc3F)C[C@H]2CCO)CC1
InChIInChI=1S/C21H33F2N3O/c1-16(2)25-8-5-19(6-9-25)26-11-10-24(15-20(26)7-12-27)14-17-3-4-18(22)13-21(17)23/h3-4,13,16,19-20,27H,5-12,14-15H2,1-2H3/t20-/m1/s1
InChIKeyGAPQAKLBBWOITG-HXUWFJFHSA-N
MW381.51 g/mol
LogP2.71
Rot. Bonds6

About 2-[(2R)-4-[(2,4-difluorophenyl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol

2-[(2R)-4-[(2,4-difluorophenyl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol (PubChem CID 98578927) has the molecular formula C21H33F2N3O and a molecular weight of 381.51 g/mol. Its IUPAC name is 2-[(2R)-4-[(2,4-difluorophenyl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2R)-4-[(2,4-difluorophenyl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
PubChem CID98578927
Molecular FormulaC21H33F2N3O
Molecular Weight381.51 g/mol
Exact Mass381.26
IUPAC Name2-[(2R)-4-[(2,4-difluorophenyl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
SMILESCC(C)N1CCC(N2CCN(Cc3ccc(F)cc3F)C[C@H]2CCO)CC1
InChIInChI=1S/C21H33F2N3O/c1-16(2)25-8-5-19(6-9-25)26-11-10-24(15-20(26)7-12-27)14-17-3-4-18(22)13-21(17)23/h3-4,13,16,19-20,27H,5-12,14-15H2,1-2H3/t20-/m1/s1
InChIKeyGAPQAKLBBWOITG-HXUWFJFHSA-N
XLogP2.71
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.51
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2R)-4-[(2,4-difluorophenyl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol with MolForge

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Related Compounds

2-[4-[(2-fluorophenyl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
CID 45171701
4-[[(3S)-3-(2-hydroxyethyl)-4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]methyl]phenol
CID 29025292
2-[4-[(4-ethylphenyl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
CID 45186472
2-[(2S)-4-[(2-methoxyphenyl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
CID 51635269
2-[(2S)-4-[[4-(2-methylpropyl)phenyl]methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
CID 30733316
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CID 45242285
2-[4-[(8-fluoroquinolin-2-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
CID 45206867
2-[(2R)-1-(1-propan-2-ylpiperidin-4-yl)-4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-2-yl]ethanol
CID 98587542
2-[1-(1-propan-2-ylpiperidin-4-yl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 45178979
2-[(2R)-1-(cyclohexylmethyl)-4-[(2,4-difluorophenyl)methyl]piperazin-2-yl]ethanol
CID 29151142
2-[4-(2,2-dimethylpropyl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
CID 45211321
2-[(2R)-4-[(2,5-difluorophenyl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol
CID 98573073

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-[(2,4-difluorophenyl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[(2R)-4-[(2,4-difluorophenyl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol (CID 98578927) is 2-[(2R)-4-[(2,4-difluorophenyl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2R)-4-[(2,4-difluorophenyl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2R)-4-[(2,4-difluorophenyl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol is CC(C)N1CCC(N2CCN(Cc3ccc(F)cc3F)C[C@H]2CCO)CC1.
What is the InChIKey of 2-[(2R)-4-[(2,4-difluorophenyl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol?
The InChIKey is GAPQAKLBBWOITG-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H33F2N3O/c1-16(2)25-8-5-19(6-9-25)26-11-10-24(15-20(26)7-12-27)14-17-3-4-18(22)13-21(17)23/h3-4,13,16,19-20,27H,5-12,14-15H2,1-2H3/t20-/m1/s1.
What are the key properties of 2-[(2R)-4-[(2,4-difluorophenyl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol?
2-[(2R)-4-[(2,4-difluorophenyl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol has a molecular weight of 381.51 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-[(2,4-difluorophenyl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol is sourced from PubChem (CID 98578927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).