1-(azetidin-3-yl)-4-(2,5-dimethylcyclohexyl)piperazine

C15H29N3 — CID 66203861

IUPAC1-(azetidin-3-yl)-4-(2,5-dimethylcyclohexyl)piperazine
SMILESCC1CCC(C)C(N2CCN(C3CNC3)CC2)C1
InChIInChI=1S/C15H29N3/c1-12-3-4-13(2)15(9-12)18-7-5-17(6-8-18)14-10-16-11-14/h12-16H,3-11H2,1-2H3
InChIKeyGSWQUAWNVXJLKH-UHFFFAOYSA-N
MW251.42 g/mol
LogP1.40
Rot. Bonds2

About 1-(azetidin-3-yl)-4-(2,5-dimethylcyclohexyl)piperazine

1-(azetidin-3-yl)-4-(2,5-dimethylcyclohexyl)piperazine (PubChem CID 66203861) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-4-(2,5-dimethylcyclohexyl)piperazine.

Molecular Properties

Compound Name1-(azetidin-3-yl)-4-(2,5-dimethylcyclohexyl)piperazine
PubChem CID66203861
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name1-(azetidin-3-yl)-4-(2,5-dimethylcyclohexyl)piperazine
SMILESCC1CCC(C)C(N2CCN(C3CNC3)CC2)C1
InChIInChI=1S/C15H29N3/c1-12-3-4-13(2)15(9-12)18-7-5-17(6-8-18)14-10-16-11-14/h12-16H,3-11H2,1-2H3
InChIKeyGSWQUAWNVXJLKH-UHFFFAOYSA-N
XLogP1.40
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(azetidin-3-yl)-4-methylpiperazine
CID 20659800
3-[4-(2,5-dimethylcyclohexyl)piperazin-1-yl]propanoic acid
CID 65055717
1-(azetidin-3-yl)-4-(2-ethylcyclohexyl)piperazine
CID 66203078
3-methyl-5-pyrrolidin-1-ylpiperidine
CID 79905165
1-(2,5-dimethylcyclohexyl)-5-methylpiperidin-3-amine
CID 79986356
1-(azetidin-3-yl)-4-(3-ethylcyclopentyl)piperazine
CID 66202501
1-(3-methylcyclopentyl)-1,4-diazepane
CID 64516428
[1-(2,5-dimethylcyclohexyl)-4-methylpiperidin-3-yl]methanamine
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1-(5-methylpiperidin-3-yl)-4-propylpiperidine
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6-methyl-1-(3-methylcyclopentyl)-1,4-diazepane
CID 114550967

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-4-(2,5-dimethylcyclohexyl)piperazine?
The IUPAC name of 1-(azetidin-3-yl)-4-(2,5-dimethylcyclohexyl)piperazine (CID 66203861) is 1-(azetidin-3-yl)-4-(2,5-dimethylcyclohexyl)piperazine.
What is the SMILES notation for 1-(azetidin-3-yl)-4-(2,5-dimethylcyclohexyl)piperazine?
The canonical SMILES for 1-(azetidin-3-yl)-4-(2,5-dimethylcyclohexyl)piperazine is CC1CCC(C)C(N2CCN(C3CNC3)CC2)C1.
What is the InChIKey of 1-(azetidin-3-yl)-4-(2,5-dimethylcyclohexyl)piperazine?
The InChIKey is GSWQUAWNVXJLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-12-3-4-13(2)15(9-12)18-7-5-17(6-8-18)14-10-16-11-14/h12-16H,3-11H2,1-2H3.
What are the key properties of 1-(azetidin-3-yl)-4-(2,5-dimethylcyclohexyl)piperazine?
1-(azetidin-3-yl)-4-(2,5-dimethylcyclohexyl)piperazine has a molecular weight of 251.42 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-4-(2,5-dimethylcyclohexyl)piperazine is sourced from PubChem (CID 66203861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).