(5-benzyl-1-ethylpiperazin-2-yl)methanol

C14H22N2O — CID 82243258

IUPAC(5-benzyl-1-ethylpiperazin-2-yl)methanol
SMILESCCN1CC(Cc2ccccc2)NCC1CO
InChIInChI=1S/C14H22N2O/c1-2-16-10-13(15-9-14(16)11-17)8-12-6-4-3-5-7-12/h3-7,13-15,17H,2,8-11H2,1H3
InChIKeyOFSJBMRFBYIYEM-UHFFFAOYSA-N
MW234.34 g/mol
LogP0.88
Rot. Bonds4

About (5-benzyl-1-ethylpiperazin-2-yl)methanol

(5-benzyl-1-ethylpiperazin-2-yl)methanol (PubChem CID 82243258) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is (5-benzyl-1-ethylpiperazin-2-yl)methanol.

Molecular Properties

Compound Name(5-benzyl-1-ethylpiperazin-2-yl)methanol
PubChem CID82243258
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name(5-benzyl-1-ethylpiperazin-2-yl)methanol
SMILESCCN1CC(Cc2ccccc2)NCC1CO
InChIInChI=1S/C14H22N2O/c1-2-16-10-13(15-9-14(16)11-17)8-12-6-4-3-5-7-12/h3-7,13-15,17H,2,8-11H2,1H3
InChIKeyOFSJBMRFBYIYEM-UHFFFAOYSA-N
XLogP0.88
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,2,5-tribenzylpiperazine
CID 64850137
5-benzyl-2-ethyl-1-(2-ethylbutyl)piperazine
CID 82926510
5-benzyl-2-ethyl-1-(2-methylsulfanylethyl)piperazine
CID 64936280
5-benzyl-2-ethyl-1-(2-methylbutyl)piperazine
CID 64849551
5-benzyl-1-tert-butyl-2-ethylpiperazine
CID 64952265
5-benzyl-1-prop-2-enyl-2-propylpiperazine
CID 64847816
5-benzyl-1-(2-methoxyethyl)-2-propylpiperazine
CID 64848203
(2S,5S)-5-benzyl-1,2-dimethylpiperazine
CID 82396489
[(2S)-1-benzyl-5-methylpiperazin-2-yl]methanol
CID 178163540
1,5-dibenzyl-2-butan-2-ylpiperazine
CID 64850133
2-benzyl-5-ethyl-1-(2-fluoroethyl)piperazine
CID 80696999
2-benzyl-5-ethyl-1-(2-methylpropyl)piperazine
CID 64842935

Frequently Asked Questions

What is the IUPAC name of (5-benzyl-1-ethylpiperazin-2-yl)methanol?
The IUPAC name of (5-benzyl-1-ethylpiperazin-2-yl)methanol (CID 82243258) is (5-benzyl-1-ethylpiperazin-2-yl)methanol.
What is the SMILES notation for (5-benzyl-1-ethylpiperazin-2-yl)methanol?
The canonical SMILES for (5-benzyl-1-ethylpiperazin-2-yl)methanol is CCN1CC(Cc2ccccc2)NCC1CO.
What is the InChIKey of (5-benzyl-1-ethylpiperazin-2-yl)methanol?
The InChIKey is OFSJBMRFBYIYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-2-16-10-13(15-9-14(16)11-17)8-12-6-4-3-5-7-12/h3-7,13-15,17H,2,8-11H2,1H3.
What are the key properties of (5-benzyl-1-ethylpiperazin-2-yl)methanol?
(5-benzyl-1-ethylpiperazin-2-yl)methanol has a molecular weight of 234.34 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-benzyl-1-ethylpiperazin-2-yl)methanol is sourced from PubChem (CID 82243258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).