1-(1-ethylazetidin-3-yl)-4-(2-methylpropyl)piperazine

C13H27N3 — CID 156885108

IUPAC1-(1-ethylazetidin-3-yl)-4-(2-methylpropyl)piperazine
SMILESCCN1CC(N2CCN(CC(C)C)CC2)C1
InChIInChI=1S/C13H27N3/c1-4-14-10-13(11-14)16-7-5-15(6-8-16)9-12(2)3/h12-13H,4-11H2,1-3H3
InChIKeyNREGBMZVLQUIMP-UHFFFAOYSA-N
MW225.38 g/mol
LogP0.96
Rot. Bonds4

About 1-(1-ethylazetidin-3-yl)-4-(2-methylpropyl)piperazine

1-(1-ethylazetidin-3-yl)-4-(2-methylpropyl)piperazine (PubChem CID 156885108) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-(1-ethylazetidin-3-yl)-4-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name1-(1-ethylazetidin-3-yl)-4-(2-methylpropyl)piperazine
PubChem CID156885108
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name1-(1-ethylazetidin-3-yl)-4-(2-methylpropyl)piperazine
SMILESCCN1CC(N2CCN(CC(C)C)CC2)C1
InChIInChI=1S/C13H27N3/c1-4-14-10-13(11-14)16-7-5-15(6-8-16)9-12(2)3/h12-13H,4-11H2,1-3H3
InChIKeyNREGBMZVLQUIMP-UHFFFAOYSA-N
XLogP0.96
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylpropyl)-4-[1-(2-methylpropyl)pyrrolidin-3-yl]piperazine
CID 155459870
1-(1-ethylazetidin-3-yl)piperidine
CID 69087799
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-[(3R)-1-(3-methylbutan-2-yl)pyrrolidin-3-yl]-4-(2-methylpropyl)piperazine
CID 170062286
[3-[4-(2-methylpropyl)piperazin-1-yl]cyclohexyl]methanamine
CID 165456465
1-(2-methylpropyl)-4-(1-methylsulfonylpyrrolidin-3-yl)piperazine
CID 171565498
(9aS)-8-ethyl-2-methylsulfanyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine
CID 142537841
1-[3-(1-ethylpiperidin-4-yl)propyl]-4-(2-methylpropyl)piperazine
CID 156885442
4-(4-cyclopropylpiperazin-1-yl)-3-methylbutan-1-amine
CID 80544135
2-ethyl-8,8-difluoro-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazine
CID 146528968
(1S)-1-[1-[1-(2-methylpropyl)piperidin-4-yl]piperidin-4-yl]ethanol
CID 95111576

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylazetidin-3-yl)-4-(2-methylpropyl)piperazine?
The IUPAC name of 1-(1-ethylazetidin-3-yl)-4-(2-methylpropyl)piperazine (CID 156885108) is 1-(1-ethylazetidin-3-yl)-4-(2-methylpropyl)piperazine.
What is the SMILES notation for 1-(1-ethylazetidin-3-yl)-4-(2-methylpropyl)piperazine?
The canonical SMILES for 1-(1-ethylazetidin-3-yl)-4-(2-methylpropyl)piperazine is CCN1CC(N2CCN(CC(C)C)CC2)C1.
What is the InChIKey of 1-(1-ethylazetidin-3-yl)-4-(2-methylpropyl)piperazine?
The InChIKey is NREGBMZVLQUIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-4-14-10-13(11-14)16-7-5-15(6-8-16)9-12(2)3/h12-13H,4-11H2,1-3H3.
What are the key properties of 1-(1-ethylazetidin-3-yl)-4-(2-methylpropyl)piperazine?
1-(1-ethylazetidin-3-yl)-4-(2-methylpropyl)piperazine has a molecular weight of 225.38 g/mol, XLogP of 0.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylazetidin-3-yl)-4-(2-methylpropyl)piperazine is sourced from PubChem (CID 156885108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).