2-[(2R)-1-(cyclohexylmethyl)-4-[(3,5-difluorophenyl)methyl]piperazin-2-yl]ethanol

C20H30F2N2O — CID 29087603

IUPAC2-[(2R)-1-(cyclohexylmethyl)-4-[(3,5-difluorophenyl)methyl]piperazin-2-yl]ethanol
SMILESOCC[C@@H]1CN(Cc2cc(F)cc(F)c2)CCN1CC1CCCCC1
InChIInChI=1S/C20H30F2N2O/c21-18-10-17(11-19(22)12-18)13-23-7-8-24(20(15-23)6-9-25)14-16-4-2-1-3-5-16/h10-12,16,20,25H,1-9,13-15H2/t20-/m1/s1
InChIKeyVXWPLWPIOCEOGE-HXUWFJFHSA-N
MW352.47 g/mol
LogP3.41
Rot. Bonds6

About 2-[(2R)-1-(cyclohexylmethyl)-4-[(3,5-difluorophenyl)methyl]piperazin-2-yl]ethanol

2-[(2R)-1-(cyclohexylmethyl)-4-[(3,5-difluorophenyl)methyl]piperazin-2-yl]ethanol (PubChem CID 29087603) has the molecular formula C20H30F2N2O and a molecular weight of 352.47 g/mol. Its IUPAC name is 2-[(2R)-1-(cyclohexylmethyl)-4-[(3,5-difluorophenyl)methyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2R)-1-(cyclohexylmethyl)-4-[(3,5-difluorophenyl)methyl]piperazin-2-yl]ethanol
PubChem CID29087603
Molecular FormulaC20H30F2N2O
Molecular Weight352.47 g/mol
Exact Mass352.23
IUPAC Name2-[(2R)-1-(cyclohexylmethyl)-4-[(3,5-difluorophenyl)methyl]piperazin-2-yl]ethanol
SMILESOCC[C@@H]1CN(Cc2cc(F)cc(F)c2)CCN1CC1CCCCC1
InChIInChI=1S/C20H30F2N2O/c21-18-10-17(11-19(22)12-18)13-23-7-8-24(20(15-23)6-9-25)14-16-4-2-1-3-5-16/h10-12,16,20,25H,1-9,13-15H2/t20-/m1/s1
InChIKeyVXWPLWPIOCEOGE-HXUWFJFHSA-N
XLogP3.41
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.47
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(2R)-1-(cyclohexylmethyl)-4-[(3,5-difluorophenyl)methyl]piperazin-2-yl]ethanol with MolForge

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Related Compounds

2-[(2R)-1-(cyclohexylmethyl)-4-[(2,4-difluorophenyl)methyl]piperazin-2-yl]ethanol
CID 29151142
4-[[4-(cyclohexylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-2,6-dimethoxyphenol
CID 45247515
2-[1-(cyclohexylmethyl)-4-(pyridin-3-ylmethyl)piperazin-2-yl]ethanol
CID 45241392
2-[1-(cyclohexylmethyl)-4-[(1-methylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol
CID 45205791
2-[(2S)-4-[(3,5-difluorophenyl)methyl]-1-(3-methylbut-2-enyl)piperazin-2-yl]ethanol
CID 29029362
2-[(2R)-1-(cyclohexylmethyl)-4-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperazin-2-yl]ethanol
CID 51634282
2-[(2S)-1-(cyclohexylmethyl)-4-[(2,4-dimethoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 29258284
2-[4-(cyclopropylmethyl)-1-[(4-fluorophenyl)methyl]piperazin-2-yl]ethanol
CID 45210114
2-[(2R)-4-(cyclohexylmethyl)-1-[(4-phenylphenyl)methyl]piperazin-2-yl]ethanol
CID 73056753
2-[(2R)-4-(2,1,3-benzoxadiazol-4-ylmethyl)-1-(cyclohexylmethyl)piperazin-2-yl]ethanol
CID 28786044
2-[4-[(3,5-difluorophenyl)methyl]-1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperazin-2-yl]ethanol
CID 45178650
2-[1-(cyclohexylmethyl)-4-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]piperazin-2-yl]ethanol
CID 45199441

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-(cyclohexylmethyl)-4-[(3,5-difluorophenyl)methyl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[(2R)-1-(cyclohexylmethyl)-4-[(3,5-difluorophenyl)methyl]piperazin-2-yl]ethanol (CID 29087603) is 2-[(2R)-1-(cyclohexylmethyl)-4-[(3,5-difluorophenyl)methyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2R)-1-(cyclohexylmethyl)-4-[(3,5-difluorophenyl)methyl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2R)-1-(cyclohexylmethyl)-4-[(3,5-difluorophenyl)methyl]piperazin-2-yl]ethanol is OCC[C@@H]1CN(Cc2cc(F)cc(F)c2)CCN1CC1CCCCC1.
What is the InChIKey of 2-[(2R)-1-(cyclohexylmethyl)-4-[(3,5-difluorophenyl)methyl]piperazin-2-yl]ethanol?
The InChIKey is VXWPLWPIOCEOGE-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H30F2N2O/c21-18-10-17(11-19(22)12-18)13-23-7-8-24(20(15-23)6-9-25)14-16-4-2-1-3-5-16/h10-12,16,20,25H,1-9,13-15H2/t20-/m1/s1.
What are the key properties of 2-[(2R)-1-(cyclohexylmethyl)-4-[(3,5-difluorophenyl)methyl]piperazin-2-yl]ethanol?
2-[(2R)-1-(cyclohexylmethyl)-4-[(3,5-difluorophenyl)methyl]piperazin-2-yl]ethanol has a molecular weight of 352.47 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-(cyclohexylmethyl)-4-[(3,5-difluorophenyl)methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 29087603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).