1-(azetidin-3-yl)-4-(3-methoxycyclohexyl)piperazine

C14H27N3O — CID 66201031

IUPAC1-(azetidin-3-yl)-4-(3-methoxycyclohexyl)piperazine
SMILESCOC1CCCC(N2CCN(C3CNC3)CC2)C1
InChIInChI=1S/C14H27N3O/c1-18-14-4-2-3-12(9-14)16-5-7-17(8-6-16)13-10-15-11-13/h12-15H,2-11H2,1H3
InChIKeyBYUJLTCVAYCQPY-UHFFFAOYSA-N
MW253.39 g/mol
LogP0.53
Rot. Bonds3

About 1-(azetidin-3-yl)-4-(3-methoxycyclohexyl)piperazine

1-(azetidin-3-yl)-4-(3-methoxycyclohexyl)piperazine (PubChem CID 66201031) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-4-(3-methoxycyclohexyl)piperazine.

Molecular Properties

Compound Name1-(azetidin-3-yl)-4-(3-methoxycyclohexyl)piperazine
PubChem CID66201031
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name1-(azetidin-3-yl)-4-(3-methoxycyclohexyl)piperazine
SMILESCOC1CCCC(N2CCN(C3CNC3)CC2)C1
InChIInChI=1S/C14H27N3O/c1-18-14-4-2-3-12(9-14)16-5-7-17(8-6-16)13-10-15-11-13/h12-15H,2-11H2,1H3
InChIKeyBYUJLTCVAYCQPY-UHFFFAOYSA-N
XLogP0.53
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-4-(3-methoxycyclohexyl)piperazine?
The IUPAC name of 1-(azetidin-3-yl)-4-(3-methoxycyclohexyl)piperazine (CID 66201031) is 1-(azetidin-3-yl)-4-(3-methoxycyclohexyl)piperazine.
What is the SMILES notation for 1-(azetidin-3-yl)-4-(3-methoxycyclohexyl)piperazine?
The canonical SMILES for 1-(azetidin-3-yl)-4-(3-methoxycyclohexyl)piperazine is COC1CCCC(N2CCN(C3CNC3)CC2)C1.
What is the InChIKey of 1-(azetidin-3-yl)-4-(3-methoxycyclohexyl)piperazine?
The InChIKey is BYUJLTCVAYCQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-18-14-4-2-3-12(9-14)16-5-7-17(8-6-16)13-10-15-11-13/h12-15H,2-11H2,1H3.
What are the key properties of 1-(azetidin-3-yl)-4-(3-methoxycyclohexyl)piperazine?
1-(azetidin-3-yl)-4-(3-methoxycyclohexyl)piperazine has a molecular weight of 253.39 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-4-(3-methoxycyclohexyl)piperazine is sourced from PubChem (CID 66201031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).