1-[1-(azetidin-3-ylmethyl)pyrrolidin-3-yl]piperazine

C12H24N4 — CID 170022732

IUPAC1-[1-(azetidin-3-ylmethyl)pyrrolidin-3-yl]piperazine
SMILESC1CN(C2CCN(CC3CNC3)C2)CCN1
InChIInChI=1S/C12H24N4/c1-4-15(9-11-7-14-8-11)10-12(1)16-5-2-13-3-6-16/h11-14H,1-10H2
InChIKeyWTARFNSUDDTFEA-UHFFFAOYSA-N
MW224.35 g/mol
LogP-0.81
Rot. Bonds3

About 1-[1-(azetidin-3-ylmethyl)pyrrolidin-3-yl]piperazine

1-[1-(azetidin-3-ylmethyl)pyrrolidin-3-yl]piperazine (PubChem CID 170022732) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-[1-(azetidin-3-ylmethyl)pyrrolidin-3-yl]piperazine.

Molecular Properties

Compound Name1-[1-(azetidin-3-ylmethyl)pyrrolidin-3-yl]piperazine
PubChem CID170022732
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC Name1-[1-(azetidin-3-ylmethyl)pyrrolidin-3-yl]piperazine
SMILESC1CN(C2CCN(CC3CNC3)C2)CCN1
InChIInChI=1S/C12H24N4/c1-4-15(9-11-7-14-8-11)10-12(1)16-5-2-13-3-6-16/h11-14H,1-10H2
InChIKeyWTARFNSUDDTFEA-UHFFFAOYSA-N
XLogP-0.81
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(cyclopropylmethyl)pyrrolidin-3-yl]piperazine;hydrochloride
CID 120968111
3-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]piperidine
CID 63169624
(3R)-1-(azetidin-3-ylmethyl)-3-fluoropyrrolidine
CID 166507837
1-[1-[(2-methylcyclopropyl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride
CID 120967543
1-[1-[(2-methylcyclohexyl)methyl]pyrrolidin-3-yl]piperazine
CID 120968406
1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]piperazine
CID 63169674
1-[[1-(1-methylpyrrolidin-3-yl)piperidin-4-yl]methyl]piperazine
CID 167091333
1-[(3S)-1-methylpyrrolidin-3-yl]piperazine
CID 94910735
1-[1-(2,2-dimethoxyethyl)pyrrolidin-3-yl]piperazine
CID 112739446
1-(1-ethylpiperidin-3-yl)piperazine
CID 52992040
4-piperidin-1-yl-1-(piperidin-4-ylmethyl)piperidine
CID 61244264
2-[3-(1,4-diazepan-1-yl)pyrrolidin-1-yl]-N,N-dimethylethanamine
CID 117004539

Frequently Asked Questions

What is the IUPAC name of 1-[1-(azetidin-3-ylmethyl)pyrrolidin-3-yl]piperazine?
The IUPAC name of 1-[1-(azetidin-3-ylmethyl)pyrrolidin-3-yl]piperazine (CID 170022732) is 1-[1-(azetidin-3-ylmethyl)pyrrolidin-3-yl]piperazine.
What is the SMILES notation for 1-[1-(azetidin-3-ylmethyl)pyrrolidin-3-yl]piperazine?
The canonical SMILES for 1-[1-(azetidin-3-ylmethyl)pyrrolidin-3-yl]piperazine is C1CN(C2CCN(CC3CNC3)C2)CCN1.
What is the InChIKey of 1-[1-(azetidin-3-ylmethyl)pyrrolidin-3-yl]piperazine?
The InChIKey is WTARFNSUDDTFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-4-15(9-11-7-14-8-11)10-12(1)16-5-2-13-3-6-16/h11-14H,1-10H2.
What are the key properties of 1-[1-(azetidin-3-ylmethyl)pyrrolidin-3-yl]piperazine?
1-[1-(azetidin-3-ylmethyl)pyrrolidin-3-yl]piperazine has a molecular weight of 224.35 g/mol, XLogP of -0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(azetidin-3-ylmethyl)pyrrolidin-3-yl]piperazine is sourced from PubChem (CID 170022732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).