1-[(1-ethylazetidin-3-yl)methyl]-4-propan-2-ylpiperazine

C13H27N3 — CID 134414100

IUPAC1-[(1-ethylazetidin-3-yl)methyl]-4-propan-2-ylpiperazine
SMILESCCN1CC(CN2CCN(C(C)C)CC2)C1
InChIInChI=1S/C13H27N3/c1-4-14-9-13(10-14)11-15-5-7-16(8-6-15)12(2)3/h12-13H,4-11H2,1-3H3
InChIKeyJHDWQYBYYKWTJB-UHFFFAOYSA-N
MW225.38 g/mol
LogP0.96
Rot. Bonds4

About 1-[(1-ethylazetidin-3-yl)methyl]-4-propan-2-ylpiperazine

1-[(1-ethylazetidin-3-yl)methyl]-4-propan-2-ylpiperazine (PubChem CID 134414100) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-[(1-ethylazetidin-3-yl)methyl]-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[(1-ethylazetidin-3-yl)methyl]-4-propan-2-ylpiperazine
PubChem CID134414100
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name1-[(1-ethylazetidin-3-yl)methyl]-4-propan-2-ylpiperazine
SMILESCCN1CC(CN2CCN(C(C)C)CC2)C1
InChIInChI=1S/C13H27N3/c1-4-14-9-13(10-14)11-15-5-7-16(8-6-15)12(2)3/h12-13H,4-11H2,1-3H3
InChIKeyJHDWQYBYYKWTJB-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-ethyl-4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperazine
CID 170266000
1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-propan-2-yl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine
CID 167695333
6-methyl-3-[(4-propan-2-ylpiperazin-1-yl)methyl]-6-azabicyclo[3.1.1]heptane
CID 166461762
6-[(4-ethylpiperazin-1-yl)methyl]-3-propan-2-yl-3-azabicyclo[3.1.0]hexane
CID 171564760
1-propan-2-yl-4-[[(3S)-1-[(1-propylcyclopropyl)methyl]pyrrolidin-3-yl]methyl]piperazine
CID 174275638
1-[(3-fluoro-3-methylcyclobutyl)methyl]-4-propan-2-ylpiperazine
CID 126752886
1-[(1-tert-butylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine
CID 139475378
1-ethyl-3-(1-propan-2-ylazetidin-3-yl)azetidine
CID 177246140
2-ethyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 58914458
1-propan-2-yl-4-[(4-propan-2-ylcyclohexyl)methyl]cyclohexane;bis(1-propan-2-yl-4-[(4-propan-2-ylcyclohexyl)methyl]piperazine);bis(1-propan-2-yl-4-[(4-propan-2-ylcyclohexyl)methyl]piperidine);bis(4-propan-2-yl-1-[(4-propan-2-ylcyclohexyl)methyl]piperidine);1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine;bis(1-propan-2-yl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine)
CID 167571106
1-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]-4-propan-2-ylpiperazine
CID 177062108
1-methyl-4-[3-[(4-propan-2-ylpiperazin-1-yl)methyl]cyclobutyl]piperazine
CID 176935979

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylazetidin-3-yl)methyl]-4-propan-2-ylpiperazine?
The IUPAC name of 1-[(1-ethylazetidin-3-yl)methyl]-4-propan-2-ylpiperazine (CID 134414100) is 1-[(1-ethylazetidin-3-yl)methyl]-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-[(1-ethylazetidin-3-yl)methyl]-4-propan-2-ylpiperazine?
The canonical SMILES for 1-[(1-ethylazetidin-3-yl)methyl]-4-propan-2-ylpiperazine is CCN1CC(CN2CCN(C(C)C)CC2)C1.
What is the InChIKey of 1-[(1-ethylazetidin-3-yl)methyl]-4-propan-2-ylpiperazine?
The InChIKey is JHDWQYBYYKWTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-4-14-9-13(10-14)11-15-5-7-16(8-6-15)12(2)3/h12-13H,4-11H2,1-3H3.
What are the key properties of 1-[(1-ethylazetidin-3-yl)methyl]-4-propan-2-ylpiperazine?
1-[(1-ethylazetidin-3-yl)methyl]-4-propan-2-ylpiperazine 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)methyl]-4-propan-2-ylpiperazine is sourced from PubChem (CID 134414100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).