(2S,5S)-2-ethyl-5-methyl-1-propan-2-ylpiperazine

C10H22N2 — CID 96769528

IUPAC(2S,5S)-2-ethyl-5-methyl-1-propan-2-ylpiperazine
SMILESCC[C@H]1CN[C@@H](C)CN1C(C)C
InChIInChI=1S/C10H22N2/c1-5-10-6-11-9(4)7-12(10)8(2)3/h8-11H,5-7H2,1-4H3/t9-,10-/m0/s1
InChIKeyCCLNXYZBEIUFLH-UWVGGRQHSA-N
MW170.30 g/mol
LogP1.47
Rot. Bonds2

About (2S,5S)-2-ethyl-5-methyl-1-propan-2-ylpiperazine

(2S,5S)-2-ethyl-5-methyl-1-propan-2-ylpiperazine (PubChem CID 96769528) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is (2S,5S)-2-ethyl-5-methyl-1-propan-2-ylpiperazine.

Molecular Properties

Compound Name(2S,5S)-2-ethyl-5-methyl-1-propan-2-ylpiperazine
PubChem CID96769528
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name(2S,5S)-2-ethyl-5-methyl-1-propan-2-ylpiperazine
SMILESCC[C@H]1CN[C@@H](C)CN1C(C)C
InChIInChI=1S/C10H22N2/c1-5-10-6-11-9(4)7-12(10)8(2)3/h8-11H,5-7H2,1-4H3/t9-,10-/m0/s1
InChIKeyCCLNXYZBEIUFLH-UWVGGRQHSA-N
XLogP1.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-methyl-1-propan-2-ylpiperazin-2-yl)methanol
CID 82240916
2-ethyl-5-methyl-1-(5-methylhexan-2-yl)piperazine
CID 64938399
1-(1-cyclohexylethyl)-2-ethyl-5-methylpiperazine
CID 64937210
1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-ethyl-5-methylpiperazine
CID 64952280
(2R)-2-ethyl-1-propan-2-ylaziridine
CID 59459524
2-[1-(2-ethyl-5-methylpiperazin-1-yl)ethyl]-5-methyl-1,3-oxazole
CID 114182571
(2R,5S)-1-[bis(4-chlorophenyl)methyl]-2-ethyl-5-methylpiperazine;hydrochloride
CID 170433659
2-ethyl-1-(3-ethylpentan-3-yl)-5-methylpiperazine
CID 65043395
2-ethyl-5-methyl-1-(2-methyl-3-methylsulfanylpropyl)piperazine
CID 64937828
5-methyl-1-propan-2-yl-2-(trifluoromethyl)piperazine
CID 177002646
2-ethyl-5-methyl-1-(1-methylcyclohexyl)piperazine
CID 64938166
(2R)-2-ethyl-1-propan-2-ylpiperazine
CID 51627942

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-2-ethyl-5-methyl-1-propan-2-ylpiperazine?
The IUPAC name of (2S,5S)-2-ethyl-5-methyl-1-propan-2-ylpiperazine (CID 96769528) is (2S,5S)-2-ethyl-5-methyl-1-propan-2-ylpiperazine.
What is the SMILES notation for (2S,5S)-2-ethyl-5-methyl-1-propan-2-ylpiperazine?
The canonical SMILES for (2S,5S)-2-ethyl-5-methyl-1-propan-2-ylpiperazine is CC[C@H]1CN[C@@H](C)CN1C(C)C.
What is the InChIKey of (2S,5S)-2-ethyl-5-methyl-1-propan-2-ylpiperazine?
The InChIKey is CCLNXYZBEIUFLH-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H22N2/c1-5-10-6-11-9(4)7-12(10)8(2)3/h8-11H,5-7H2,1-4H3/t9-,10-/m0/s1.
What are the key properties of (2S,5S)-2-ethyl-5-methyl-1-propan-2-ylpiperazine?
(2S,5S)-2-ethyl-5-methyl-1-propan-2-ylpiperazine has a molecular weight of 170.30 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-2-ethyl-5-methyl-1-propan-2-ylpiperazine is sourced from PubChem (CID 96769528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).