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

C16H24Cl2F2N2O — CID 71783316

IUPAC1-cyclopropyl-2-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]ethanol;dihydrochloride
SMILESCl.Cl.OC(CN1CCN(Cc2cc(F)ccc2F)CC1)C1CC1
InChIInChI=1S/C16H22F2N2O.2ClH/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;2*1H
InChIKeyGTBIGTDGUNNMGE-UHFFFAOYSA-N
MW369.28 g/mol
LogP2.70
Rot. Bonds5

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

1-cyclopropyl-2-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]ethanol;dihydrochloride (PubChem CID 71783316) has the molecular formula C16H24Cl2F2N2O and a molecular weight of 369.28 g/mol. Its IUPAC name is 1-cyclopropyl-2-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]ethanol;dihydrochloride.

Molecular Properties

Compound Name1-cyclopropyl-2-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]ethanol;dihydrochloride
PubChem CID71783316
Molecular FormulaC16H24Cl2F2N2O
Molecular Weight369.28 g/mol
Exact Mass368.12
IUPAC Name1-cyclopropyl-2-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]ethanol;dihydrochloride
SMILESCl.Cl.OC(CN1CCN(Cc2cc(F)ccc2F)CC1)C1CC1
InChIInChI=1S/C16H22F2N2O.2ClH/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;2*1H
InChIKeyGTBIGTDGUNNMGE-UHFFFAOYSA-N
XLogP2.70
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.28
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]ethanol;dihydrochloride?
The IUPAC name of 1-cyclopropyl-2-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]ethanol;dihydrochloride (CID 71783316) is 1-cyclopropyl-2-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]ethanol;dihydrochloride.
What is the SMILES notation for 1-cyclopropyl-2-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]ethanol;dihydrochloride?
The canonical SMILES for 1-cyclopropyl-2-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]ethanol;dihydrochloride is Cl.Cl.OC(CN1CCN(Cc2cc(F)ccc2F)CC1)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]ethanol;dihydrochloride?
The InChIKey is GTBIGTDGUNNMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O.2ClH/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;2*1H.
What are the key properties of 1-cyclopropyl-2-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]ethanol;dihydrochloride?
1-cyclopropyl-2-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]ethanol;dihydrochloride has a molecular weight of 369.28 g/mol, XLogP of 2.70, 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;dihydrochloride is sourced from PubChem (CID 71783316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).