1-cyclopropyl-2-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]ethanol

C16H22F2N2O — CID 71783317

IUPAC1-cyclopropyl-2-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]ethanol
SMILESOC(CN1CCN(Cc2cc(F)ccc2F)CC1)C1CC1
InChIInChI=1S/C16H22F2N2O/c17-14-3-4-15(18)13(9-14)10-19-5-7-20(8-6-19)11-16(21)12-1-2-12/h3-4,9,12,16,21H,1-2,5-8,10-11H2
InChIKeyKBEDCUGIUZQAMD-UHFFFAOYSA-N
MW296.36 g/mol
LogP1.85
Rot. Bonds5

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

1-cyclopropyl-2-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]ethanol (PubChem CID 71783317) has the molecular formula C16H22F2N2O and a molecular weight of 296.36 g/mol. Its IUPAC name is 1-cyclopropyl-2-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name1-cyclopropyl-2-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]ethanol
PubChem CID71783317
Molecular FormulaC16H22F2N2O
Molecular Weight296.36 g/mol
Exact Mass296.17
IUPAC Name1-cyclopropyl-2-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]ethanol
SMILESOC(CN1CCN(Cc2cc(F)ccc2F)CC1)C1CC1
InChIInChI=1S/C16H22F2N2O/c17-14-3-4-15(18)13(9-14)10-19-5-7-20(8-6-19)11-16(21)12-1-2-12/h3-4,9,12,16,21H,1-2,5-8,10-11H2
InChIKeyKBEDCUGIUZQAMD-UHFFFAOYSA-N
XLogP1.85
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Benzylpiperidin-3-ol
CID 85773
(3R,4R)-1-[(4-fluorophenyl)methyl]-3-(4-phenylpiperidin-1-yl)piperidin-4-ol
CID 449639
1-(4-Fluorobenzyl)-4-(2-Hydroxyethyl)Piperazine
CID 693807
trans-1-(4-Fluorobenzyl)-3-(4-phenylpiperidin-1-yl)piperidin-4-ol
CID 9999116
2-{1-Isobutyl-4-[4-(trifluoromethyl)benzyl]-2-piperazinyl}ethanol
CID 16190721
2-[4-Cyclobutyl-1-(3,4-difluorobenzyl)-2-piperazinyl]ethanol
CID 23723610
(R)-(-)-1-Benzyl-3-hydroxypiperidine
CID 693761
2-[Benzyl-[(3,4-difluorophenyl)methyl]amino]ethanol
CID 757598
2-[Benzyl(2-fluorobenzyl)amino]ethanol
CID 783283
2-[(3-Fluorophenyl)methyl-(phenylmethyl)amino]ethanol
CID 783344
2-{1-(3-Methylbutyl)-4-[3-(trifluoromethyl)benzyl]-2-piperazinyl}ethanol
CID 16191225
2-[4-(2,5-Difluorobenzyl)-1-(3-phenylpropyl)-2-piperazinyl]ethanol
CID 23723219

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]ethanol?
The IUPAC name of 1-cyclopropyl-2-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]ethanol (CID 71783317) is 1-cyclopropyl-2-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 1-cyclopropyl-2-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]ethanol?
The canonical SMILES for 1-cyclopropyl-2-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]ethanol is OC(CN1CCN(Cc2cc(F)ccc2F)CC1)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]ethanol?
The InChIKey is KBEDCUGIUZQAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O/c17-14-3-4-15(18)13(9-14)10-19-5-7-20(8-6-19)11-16(21)12-1-2-12/h3-4,9,12,16,21H,1-2,5-8,10-11H2.
What are the key properties of 1-cyclopropyl-2-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]ethanol?
1-cyclopropyl-2-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]ethanol has a molecular weight of 296.36 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 71783317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).