(3R)-1-benzyl-3-ethylpiperazine

C13H20N2 — CID 45356982

IUPAC(3R)-1-benzyl-3-ethylpiperazine
SMILESCC[C@@H]1CN(Cc2ccccc2)CCN1
InChIInChI=1S/C13H20N2/c1-2-13-11-15(9-8-14-13)10-12-6-4-3-5-7-12/h3-7,13-14H,2,8-11H2,1H3/t13-/m1/s1
InChIKeyCTPKPBTULPZITK-CYBMUJFWSA-N
MW204.32 g/mol
LogP1.87
Rot. Bonds3

About (3R)-1-benzyl-3-ethylpiperazine

(3R)-1-benzyl-3-ethylpiperazine (PubChem CID 45356982) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is (3R)-1-benzyl-3-ethylpiperazine.

Molecular Properties

Compound Name(3R)-1-benzyl-3-ethylpiperazine
PubChem CID45356982
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name(3R)-1-benzyl-3-ethylpiperazine
SMILESCC[C@@H]1CN(Cc2ccccc2)CCN1
InChIInChI=1S/C13H20N2/c1-2-13-11-15(9-8-14-13)10-12-6-4-3-5-7-12/h3-7,13-14H,2,8-11H2,1H3/t13-/m1/s1
InChIKeyCTPKPBTULPZITK-CYBMUJFWSA-N
XLogP1.87
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-3-butylpiperazine
CID 19353079
[(2R)-4-benzylpiperazin-2-yl]methanol;hydrochloride
CID 155487244
(3S)-1-benzyl-3-methylpiperazine;hydrochloride
CID 52982949
1-benzyl-3-methylpiperazine;ethane
CID 166543639
1-benzyl-3-(phenylmethoxymethyl)piperazine
CID 53395029
1-benzyl-3-[(4-fluorophenyl)methyl]piperazine
CID 18703475
3-ethyl-1-[(4-fluorophenyl)methyl]-1,4-diazepane
CID 64870904
(3S)-1-benzyl-3-(3-phenylprop-2-enyl)piperazine
CID 69486967
methyl 4-[(3-ethylpiperazin-1-yl)methyl]benzoate
CID 45072914
2-[(3-ethylpiperazin-1-yl)methyl]pyrimidine
CID 64831814
3-ethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 64834001
4-[(3-benzylpiperazin-1-yl)methyl]benzoic acid
CID 53414066

Frequently Asked Questions

What is the IUPAC name of (3R)-1-benzyl-3-ethylpiperazine?
The IUPAC name of (3R)-1-benzyl-3-ethylpiperazine (CID 45356982) is (3R)-1-benzyl-3-ethylpiperazine.
What is the SMILES notation for (3R)-1-benzyl-3-ethylpiperazine?
The canonical SMILES for (3R)-1-benzyl-3-ethylpiperazine is CC[C@@H]1CN(Cc2ccccc2)CCN1.
What is the InChIKey of (3R)-1-benzyl-3-ethylpiperazine?
The InChIKey is CTPKPBTULPZITK-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H20N2/c1-2-13-11-15(9-8-14-13)10-12-6-4-3-5-7-12/h3-7,13-14H,2,8-11H2,1H3/t13-/m1/s1.
What are the key properties of (3R)-1-benzyl-3-ethylpiperazine?
(3R)-1-benzyl-3-ethylpiperazine has a molecular weight of 204.32 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-benzyl-3-ethylpiperazine is sourced from PubChem (CID 45356982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).