2-[4-(cyclopropylmethyl)-1-[(3,4-difluorophenyl)methyl]piperazin-2-yl]ethanol

C17H24F2N2O — CID 23723836

IUPAC2-[4-(cyclopropylmethyl)-1-[(3,4-difluorophenyl)methyl]piperazin-2-yl]ethanol
SMILESOCCC1CN(CC2CC2)CCN1Cc1ccc(F)c(F)c1
InChIInChI=1S/C17H24F2N2O/c18-16-4-3-14(9-17(16)19)11-21-7-6-20(10-13-1-2-13)12-15(21)5-8-22/h3-4,9,13,15,22H,1-2,5-8,10-12H2
InChIKeyNEBPCHVKKHQZPO-UHFFFAOYSA-N
MW310.39 g/mol
LogP2.24
Rot. Bonds6

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

2-[4-(cyclopropylmethyl)-1-[(3,4-difluorophenyl)methyl]piperazin-2-yl]ethanol (PubChem CID 23723836) has the molecular formula C17H24F2N2O and a molecular weight of 310.39 g/mol. Its IUPAC name is 2-[4-(cyclopropylmethyl)-1-[(3,4-difluorophenyl)methyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-(cyclopropylmethyl)-1-[(3,4-difluorophenyl)methyl]piperazin-2-yl]ethanol
PubChem CID23723836
Molecular FormulaC17H24F2N2O
Molecular Weight310.39 g/mol
Exact Mass310.19
IUPAC Name2-[4-(cyclopropylmethyl)-1-[(3,4-difluorophenyl)methyl]piperazin-2-yl]ethanol
SMILESOCCC1CN(CC2CC2)CCN1Cc1ccc(F)c(F)c1
InChIInChI=1S/C17H24F2N2O/c18-16-4-3-14(9-17(16)19)11-21-7-6-20(10-13-1-2-13)12-15(21)5-8-22/h3-4,9,13,15,22H,1-2,5-8,10-12H2
InChIKeyNEBPCHVKKHQZPO-UHFFFAOYSA-N
XLogP2.24
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopropylmethyl)-1-[(3,4-difluorophenyl)methyl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[4-(cyclopropylmethyl)-1-[(3,4-difluorophenyl)methyl]piperazin-2-yl]ethanol (CID 23723836) is 2-[4-(cyclopropylmethyl)-1-[(3,4-difluorophenyl)methyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[4-(cyclopropylmethyl)-1-[(3,4-difluorophenyl)methyl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[4-(cyclopropylmethyl)-1-[(3,4-difluorophenyl)methyl]piperazin-2-yl]ethanol is OCCC1CN(CC2CC2)CCN1Cc1ccc(F)c(F)c1.
What is the InChIKey of 2-[4-(cyclopropylmethyl)-1-[(3,4-difluorophenyl)methyl]piperazin-2-yl]ethanol?
The InChIKey is NEBPCHVKKHQZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N2O/c18-16-4-3-14(9-17(16)19)11-21-7-6-20(10-13-1-2-13)12-15(21)5-8-22/h3-4,9,13,15,22H,1-2,5-8,10-12H2.
What are the key properties of 2-[4-(cyclopropylmethyl)-1-[(3,4-difluorophenyl)methyl]piperazin-2-yl]ethanol?
2-[4-(cyclopropylmethyl)-1-[(3,4-difluorophenyl)methyl]piperazin-2-yl]ethanol has a molecular weight of 310.39 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopropylmethyl)-1-[(3,4-difluorophenyl)methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 23723836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).