1-(azetidin-3-yl)-4-[(4-methylcyclohexyl)methyl]piperazine

C15H29N3 — CID 66201747

IUPAC1-(azetidin-3-yl)-4-[(4-methylcyclohexyl)methyl]piperazine
SMILESCC1CCC(CN2CCN(C3CNC3)CC2)CC1
InChIInChI=1S/C15H29N3/c1-13-2-4-14(5-3-13)12-17-6-8-18(9-7-17)15-10-16-11-15/h13-16H,2-12H2,1H3
InChIKeyAGUPZLDZYWLHQE-UHFFFAOYSA-N
MW251.42 g/mol
LogP1.40
Rot. Bonds3

About 1-(azetidin-3-yl)-4-[(4-methylcyclohexyl)methyl]piperazine

1-(azetidin-3-yl)-4-[(4-methylcyclohexyl)methyl]piperazine (PubChem CID 66201747) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-4-[(4-methylcyclohexyl)methyl]piperazine.

Molecular Properties

Compound Name1-(azetidin-3-yl)-4-[(4-methylcyclohexyl)methyl]piperazine
PubChem CID66201747
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name1-(azetidin-3-yl)-4-[(4-methylcyclohexyl)methyl]piperazine
SMILESCC1CCC(CN2CCN(C3CNC3)CC2)CC1
InChIInChI=1S/C15H29N3/c1-13-2-4-14(5-3-13)12-17-6-8-18(9-7-17)15-10-16-11-15/h13-16H,2-12H2,1H3
InChIKeyAGUPZLDZYWLHQE-UHFFFAOYSA-N
XLogP1.40
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-4-[(4-methylcyclohexyl)methyl]piperazine?
The IUPAC name of 1-(azetidin-3-yl)-4-[(4-methylcyclohexyl)methyl]piperazine (CID 66201747) is 1-(azetidin-3-yl)-4-[(4-methylcyclohexyl)methyl]piperazine.
What is the SMILES notation for 1-(azetidin-3-yl)-4-[(4-methylcyclohexyl)methyl]piperazine?
The canonical SMILES for 1-(azetidin-3-yl)-4-[(4-methylcyclohexyl)methyl]piperazine is CC1CCC(CN2CCN(C3CNC3)CC2)CC1.
What is the InChIKey of 1-(azetidin-3-yl)-4-[(4-methylcyclohexyl)methyl]piperazine?
The InChIKey is AGUPZLDZYWLHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-13-2-4-14(5-3-13)12-17-6-8-18(9-7-17)15-10-16-11-15/h13-16H,2-12H2,1H3.
What are the key properties of 1-(azetidin-3-yl)-4-[(4-methylcyclohexyl)methyl]piperazine?
1-(azetidin-3-yl)-4-[(4-methylcyclohexyl)methyl]piperazine has a molecular weight of 251.42 g/mol, XLogP of 1.40, 3 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-[(4-methylcyclohexyl)methyl]piperazine is sourced from PubChem (CID 66201747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).