2-[(2S)-1-benzyl-4-butylpiperazin-2-yl]ethanol

C17H28N2O — CID 90655533

IUPAC2-[(2S)-1-benzyl-4-butylpiperazin-2-yl]ethanol
SMILESCCCCN1CCN(Cc2ccccc2)[C@@H](CCO)C1
InChIInChI=1S/C17H28N2O/c1-2-3-10-18-11-12-19(17(15-18)9-13-20)14-16-7-5-4-6-8-16/h4-8,17,20H,2-3,9-15H2,1H3/t17-/m0/s1
InChIKeyQNZAFMKHNIINFB-KRWDZBQOSA-N
MW276.42 g/mol
LogP2.36
Rot. Bonds7

About 2-[(2S)-1-benzyl-4-butylpiperazin-2-yl]ethanol

2-[(2S)-1-benzyl-4-butylpiperazin-2-yl]ethanol (PubChem CID 90655533) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-[(2S)-1-benzyl-4-butylpiperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2S)-1-benzyl-4-butylpiperazin-2-yl]ethanol
PubChem CID90655533
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-[(2S)-1-benzyl-4-butylpiperazin-2-yl]ethanol
SMILESCCCCN1CCN(Cc2ccccc2)[C@@H](CCO)C1
InChIInChI=1S/C17H28N2O/c1-2-3-10-18-11-12-19(17(15-18)9-13-20)14-16-7-5-4-6-8-16/h4-8,17,20H,2-3,9-15H2,1H3/t17-/m0/s1
InChIKeyQNZAFMKHNIINFB-KRWDZBQOSA-N
XLogP2.36
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.36
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-butylpiperazin-2-yl]ethanol?
The IUPAC name of 2-[(2S)-1-benzyl-4-butylpiperazin-2-yl]ethanol (CID 90655533) is 2-[(2S)-1-benzyl-4-butylpiperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2S)-1-benzyl-4-butylpiperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2S)-1-benzyl-4-butylpiperazin-2-yl]ethanol is CCCCN1CCN(Cc2ccccc2)[C@@H](CCO)C1.
What is the InChIKey of 2-[(2S)-1-benzyl-4-butylpiperazin-2-yl]ethanol?
The InChIKey is QNZAFMKHNIINFB-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H28N2O/c1-2-3-10-18-11-12-19(17(15-18)9-13-20)14-16-7-5-4-6-8-16/h4-8,17,20H,2-3,9-15H2,1H3/t17-/m0/s1.
What are the key properties of 2-[(2S)-1-benzyl-4-butylpiperazin-2-yl]ethanol?
2-[(2S)-1-benzyl-4-butylpiperazin-2-yl]ethanol has a molecular weight of 276.42 g/mol, XLogP of 2.36, 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-butylpiperazin-2-yl]ethanol is sourced from PubChem (CID 90655533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).