2-[(2S)-1-benzyl-4-(3-methylbutyl)piperazin-2-yl]ethanol

C18H30N2O — CID 90655534

IUPAC2-[(2S)-1-benzyl-4-(3-methylbutyl)piperazin-2-yl]ethanol
SMILESCC(C)CCN1CCN(Cc2ccccc2)[C@@H](CCO)C1
InChIInChI=1S/C18H30N2O/c1-16(2)8-10-19-11-12-20(18(15-19)9-13-21)14-17-6-4-3-5-7-17/h3-7,16,18,21H,8-15H2,1-2H3/t18-/m0/s1
InChIKeyZWCXXCNREDTRPZ-SFHVURJKSA-N
MW290.45 g/mol
LogP2.60
Rot. Bonds7

About 2-[(2S)-1-benzyl-4-(3-methylbutyl)piperazin-2-yl]ethanol

2-[(2S)-1-benzyl-4-(3-methylbutyl)piperazin-2-yl]ethanol (PubChem CID 90655534) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-[(2S)-1-benzyl-4-(3-methylbutyl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2S)-1-benzyl-4-(3-methylbutyl)piperazin-2-yl]ethanol
PubChem CID90655534
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name2-[(2S)-1-benzyl-4-(3-methylbutyl)piperazin-2-yl]ethanol
SMILESCC(C)CCN1CCN(Cc2ccccc2)[C@@H](CCO)C1
InChIInChI=1S/C18H30N2O/c1-16(2)8-10-19-11-12-20(18(15-19)9-13-21)14-17-6-4-3-5-7-17/h3-7,16,18,21H,8-15H2,1-2H3/t18-/m0/s1
InChIKeyZWCXXCNREDTRPZ-SFHVURJKSA-N
XLogP2.60
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-benzyl-4-(3-methylbutyl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[(2S)-1-benzyl-4-(3-methylbutyl)piperazin-2-yl]ethanol (CID 90655534) is 2-[(2S)-1-benzyl-4-(3-methylbutyl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2S)-1-benzyl-4-(3-methylbutyl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2S)-1-benzyl-4-(3-methylbutyl)piperazin-2-yl]ethanol is CC(C)CCN1CCN(Cc2ccccc2)[C@@H](CCO)C1.
What is the InChIKey of 2-[(2S)-1-benzyl-4-(3-methylbutyl)piperazin-2-yl]ethanol?
The InChIKey is ZWCXXCNREDTRPZ-SFHVURJKSA-N. The full InChI is InChI=1S/C18H30N2O/c1-16(2)8-10-19-11-12-20(18(15-19)9-13-21)14-17-6-4-3-5-7-17/h3-7,16,18,21H,8-15H2,1-2H3/t18-/m0/s1.
What are the key properties of 2-[(2S)-1-benzyl-4-(3-methylbutyl)piperazin-2-yl]ethanol?
2-[(2S)-1-benzyl-4-(3-methylbutyl)piperazin-2-yl]ethanol has a molecular weight of 290.45 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-benzyl-4-(3-methylbutyl)piperazin-2-yl]ethanol is sourced from PubChem (CID 90655534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).