(1S)-1-[2-(3,4-dimethylpiperazin-1-yl)phenyl]ethanol

C14H22N2O — CID 63610426

IUPAC(1S)-1-[2-(3,4-dimethylpiperazin-1-yl)phenyl]ethanol
SMILESCC1CN(c2ccccc2[C@H](C)O)CCN1C
InChIInChI=1S/C14H22N2O/c1-11-10-16(9-8-15(11)3)14-7-5-4-6-13(14)12(2)17/h4-7,11-12,17H,8-10H2,1-3H3/t11?,12-/m0/s1
InChIKeyKGONIMBXXWVPFG-KIYNQFGBSA-N
MW234.34 g/mol
LogP1.88
Rot. Bonds2

About (1S)-1-[2-(3,4-dimethylpiperazin-1-yl)phenyl]ethanol

(1S)-1-[2-(3,4-dimethylpiperazin-1-yl)phenyl]ethanol (PubChem CID 63610426) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is (1S)-1-[2-(3,4-dimethylpiperazin-1-yl)phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-(3,4-dimethylpiperazin-1-yl)phenyl]ethanol
PubChem CID63610426
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name(1S)-1-[2-(3,4-dimethylpiperazin-1-yl)phenyl]ethanol
SMILESCC1CN(c2ccccc2[C@H](C)O)CCN1C
InChIInChI=1S/C14H22N2O/c1-11-10-16(9-8-15(11)3)14-7-5-4-6-13(14)12(2)17/h4-7,11-12,17H,8-10H2,1-3H3/t11?,12-/m0/s1
InChIKeyKGONIMBXXWVPFG-KIYNQFGBSA-N
XLogP1.88
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(3,4-dimethylpiperazin-1-yl)phenyl]ethanol?
The IUPAC name of (1S)-1-[2-(3,4-dimethylpiperazin-1-yl)phenyl]ethanol (CID 63610426) is (1S)-1-[2-(3,4-dimethylpiperazin-1-yl)phenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-(3,4-dimethylpiperazin-1-yl)phenyl]ethanol?
The canonical SMILES for (1S)-1-[2-(3,4-dimethylpiperazin-1-yl)phenyl]ethanol is CC1CN(c2ccccc2[C@H](C)O)CCN1C.
What is the InChIKey of (1S)-1-[2-(3,4-dimethylpiperazin-1-yl)phenyl]ethanol?
The InChIKey is KGONIMBXXWVPFG-KIYNQFGBSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11-10-16(9-8-15(11)3)14-7-5-4-6-13(14)12(2)17/h4-7,11-12,17H,8-10H2,1-3H3/t11?,12-/m0/s1.
What are the key properties of (1S)-1-[2-(3,4-dimethylpiperazin-1-yl)phenyl]ethanol?
(1S)-1-[2-(3,4-dimethylpiperazin-1-yl)phenyl]ethanol has a molecular weight of 234.34 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(3,4-dimethylpiperazin-1-yl)phenyl]ethanol is sourced from PubChem (CID 63610426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).