1-(4-methylcyclohexyl)-4-(oxan-4-yl)piperazine

C16H30N2O — CID 148732228

IUPAC1-(4-methylcyclohexyl)-4-(oxan-4-yl)piperazine
SMILESCC1CCC(N2CCN(C3CCOCC3)CC2)CC1
InChIInChI=1S/C16H30N2O/c1-14-2-4-15(5-3-14)17-8-10-18(11-9-17)16-6-12-19-13-7-16/h14-16H,2-13H2,1H3
InChIKeyCSRKCFUWMQUUCS-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.36
Rot. Bonds2

About 1-(4-methylcyclohexyl)-4-(oxan-4-yl)piperazine

1-(4-methylcyclohexyl)-4-(oxan-4-yl)piperazine (PubChem CID 148732228) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-(4-methylcyclohexyl)-4-(oxan-4-yl)piperazine.

Molecular Properties

Compound Name1-(4-methylcyclohexyl)-4-(oxan-4-yl)piperazine
PubChem CID148732228
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name1-(4-methylcyclohexyl)-4-(oxan-4-yl)piperazine
SMILESCC1CCC(N2CCN(C3CCOCC3)CC2)CC1
InChIInChI=1S/C16H30N2O/c1-14-2-4-15(5-3-14)17-8-10-18(11-9-17)16-6-12-19-13-7-16/h14-16H,2-13H2,1H3
InChIKeyCSRKCFUWMQUUCS-UHFFFAOYSA-N
XLogP2.36
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylcyclohexyl)-4-(oxan-4-yl)piperazine?
The IUPAC name of 1-(4-methylcyclohexyl)-4-(oxan-4-yl)piperazine (CID 148732228) is 1-(4-methylcyclohexyl)-4-(oxan-4-yl)piperazine.
What is the SMILES notation for 1-(4-methylcyclohexyl)-4-(oxan-4-yl)piperazine?
The canonical SMILES for 1-(4-methylcyclohexyl)-4-(oxan-4-yl)piperazine is CC1CCC(N2CCN(C3CCOCC3)CC2)CC1.
What is the InChIKey of 1-(4-methylcyclohexyl)-4-(oxan-4-yl)piperazine?
The InChIKey is CSRKCFUWMQUUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-14-2-4-15(5-3-14)17-8-10-18(11-9-17)16-6-12-19-13-7-16/h14-16H,2-13H2,1H3.
What are the key properties of 1-(4-methylcyclohexyl)-4-(oxan-4-yl)piperazine?
1-(4-methylcyclohexyl)-4-(oxan-4-yl)piperazine has a molecular weight of 266.43 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylcyclohexyl)-4-(oxan-4-yl)piperazine is sourced from PubChem (CID 148732228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).