1-[2-(azetidin-3-yl)propyl]-4-propan-2-ylpiperazine

C13H27N3 — CID 116679449

IUPAC1-[2-(azetidin-3-yl)propyl]-4-propan-2-ylpiperazine
SMILESCC(CN1CCN(C(C)C)CC1)C1CNC1
InChIInChI=1S/C13H27N3/c1-11(2)16-6-4-15(5-7-16)10-12(3)13-8-14-9-13/h11-14H,4-10H2,1-3H3
InChIKeyGMMSFIVJJCAMEL-UHFFFAOYSA-N
MW225.38 g/mol
LogP0.87
Rot. Bonds4

About 1-[2-(azetidin-3-yl)propyl]-4-propan-2-ylpiperazine

1-[2-(azetidin-3-yl)propyl]-4-propan-2-ylpiperazine (PubChem CID 116679449) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-[2-(azetidin-3-yl)propyl]-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[2-(azetidin-3-yl)propyl]-4-propan-2-ylpiperazine
PubChem CID116679449
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name1-[2-(azetidin-3-yl)propyl]-4-propan-2-ylpiperazine
SMILESCC(CN1CCN(C(C)C)CC1)C1CNC1
InChIInChI=1S/C13H27N3/c1-11(2)16-6-4-15(5-7-16)10-12(3)13-8-14-9-13/h11-14H,4-10H2,1-3H3
InChIKeyGMMSFIVJJCAMEL-UHFFFAOYSA-N
XLogP0.87
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[1-[3-(azetidin-3-yl)butyl]piperidin-4-yl]butyl]-4-propan-2-ylpiperazine
CID 139425550
1-[2-(azetidin-3-yl)propyl]-3,4-dimethylpiperidine
CID 116680465
1-[2-(azetidin-3-yl)propyl]-5-fluoro-3,6-dihydro-2H-pyridine
CID 131052436
1-[2-(azetidin-3-yl)propyl]-3-methylpiperidine
CID 116679193
1-[2-(azetidin-3-yl)propyl]-4-(2-fluorophenyl)piperazine
CID 116679480
1-(3-piperidin-3-ylbutyl)-4-propan-2-ylpiperazine
CID 81044402
1-[2-(azetidin-3-yl)propyl]-3,3-dimethylpiperidine
CID 116680106
1-cyclopropyl-2-(4-propan-2-ylpiperazin-1-yl)ethanol
CID 63908037
1-cyclohexyl-2-(4-propan-2-ylpiperazin-1-yl)ethanamine
CID 113448062
1-[(4-methylpyrrolidin-3-yl)methyl]-4-propan-2-ylpiperazine
CID 63714372
1-(2-methylpropyl)-4-(4-propan-2-ylpiperazin-1-yl)piperazine
CID 175833025
1-[2-(azetidin-3-yl)propyl]-2-methylpyrrolidine
CID 116679483

Frequently Asked Questions

What is the IUPAC name of 1-[2-(azetidin-3-yl)propyl]-4-propan-2-ylpiperazine?
The IUPAC name of 1-[2-(azetidin-3-yl)propyl]-4-propan-2-ylpiperazine (CID 116679449) is 1-[2-(azetidin-3-yl)propyl]-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-[2-(azetidin-3-yl)propyl]-4-propan-2-ylpiperazine?
The canonical SMILES for 1-[2-(azetidin-3-yl)propyl]-4-propan-2-ylpiperazine is CC(CN1CCN(C(C)C)CC1)C1CNC1.
What is the InChIKey of 1-[2-(azetidin-3-yl)propyl]-4-propan-2-ylpiperazine?
The InChIKey is GMMSFIVJJCAMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-11(2)16-6-4-15(5-7-16)10-12(3)13-8-14-9-13/h11-14H,4-10H2,1-3H3.
What are the key properties of 1-[2-(azetidin-3-yl)propyl]-4-propan-2-ylpiperazine?
1-[2-(azetidin-3-yl)propyl]-4-propan-2-ylpiperazine has a molecular weight of 225.38 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(azetidin-3-yl)propyl]-4-propan-2-ylpiperazine is sourced from PubChem (CID 116679449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).