1-methyl-4-[(2S)-2-methylbutyl]piperazine

C10H22N2 — CID 130224614

IUPAC1-methyl-4-[(2S)-2-methylbutyl]piperazine
SMILESCC[C@H](C)CN1CCN(C)CC1
InChIInChI=1S/C10H22N2/c1-4-10(2)9-12-7-5-11(3)6-8-12/h10H,4-9H2,1-3H3/t10-/m0/s1
InChIKeyXWMYIVMZPHVPQK-JTQLQIEISA-N
MW170.30 g/mol
LogP1.28
Rot. Bonds3

About 1-methyl-4-[(2S)-2-methylbutyl]piperazine

1-methyl-4-[(2S)-2-methylbutyl]piperazine (PubChem CID 130224614) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is 1-methyl-4-[(2S)-2-methylbutyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[(2S)-2-methylbutyl]piperazine
PubChem CID130224614
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name1-methyl-4-[(2S)-2-methylbutyl]piperazine
SMILESCC[C@H](C)CN1CCN(C)CC1
InChIInChI=1S/C10H22N2/c1-4-10(2)9-12-7-5-11(3)6-8-12/h10H,4-9H2,1-3H3/t10-/m0/s1
InChIKeyXWMYIVMZPHVPQK-JTQLQIEISA-N
XLogP1.28
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromoethyl)-4-(2-methylbutyl)piperazine
CID 80674253
1-methyl-4-(2-methylpropyl)piperazine
CID 20562082
3-[4-(2-methylbutyl)piperazin-1-yl]propan-1-amine
CID 62104734
1-(2-bromoethyl)-4-(2-methylbutyl)-1,4-diazepane
CID 80667299
1-(4-methylpiperazin-1-yl)butane-2-thiol
CID 123178383
1-ethyl-4,7-dimethyl-10-(2-methylpropyl)-1,4,7,10-tetrazacyclododecane
CID 118545612
1-ethyl-4-(2-methylpropyl)piperazine;1-methyl-4-(2-methylpropyl)piperazine
CID 165044772
1-ethyl-3-(2-methylbutyl)imidazolidine
CID 140603347
3-[4-(2-methylbutyl)piperazin-1-yl]propanoic acid
CID 62104961
ethane;4-(2-methylbutyl)morpholine
CID 142525427
2-methyl-3-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)propan-1-amine
CID 62438498
1-methyl-4-[5-methyl-6-(4-methylpiperazin-1-yl)hexan-2-yl]piperazine
CID 146233129

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(2S)-2-methylbutyl]piperazine?
The IUPAC name of 1-methyl-4-[(2S)-2-methylbutyl]piperazine (CID 130224614) is 1-methyl-4-[(2S)-2-methylbutyl]piperazine.
What is the SMILES notation for 1-methyl-4-[(2S)-2-methylbutyl]piperazine?
The canonical SMILES for 1-methyl-4-[(2S)-2-methylbutyl]piperazine is CC[C@H](C)CN1CCN(C)CC1.
What is the InChIKey of 1-methyl-4-[(2S)-2-methylbutyl]piperazine?
The InChIKey is XWMYIVMZPHVPQK-JTQLQIEISA-N. The full InChI is InChI=1S/C10H22N2/c1-4-10(2)9-12-7-5-11(3)6-8-12/h10H,4-9H2,1-3H3/t10-/m0/s1.
What are the key properties of 1-methyl-4-[(2S)-2-methylbutyl]piperazine?
1-methyl-4-[(2S)-2-methylbutyl]piperazine has a molecular weight of 170.30 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(2S)-2-methylbutyl]piperazine is sourced from PubChem (CID 130224614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).