2-tert-butyl-1-(3-methoxycyclohexyl)-5-methylpiperazine

C16H32N2O — CID 64844591

IUPAC2-tert-butyl-1-(3-methoxycyclohexyl)-5-methylpiperazine
SMILESCOC1CCCC(N2CC(C)NCC2C(C)(C)C)C1
InChIInChI=1S/C16H32N2O/c1-12-11-18(15(10-17-12)16(2,3)4)13-7-6-8-14(9-13)19-5/h12-15,17H,6-11H2,1-5H3
InChIKeyKRTVYLSDZRYEJB-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.65
Rot. Bonds2

About 2-tert-butyl-1-(3-methoxycyclohexyl)-5-methylpiperazine

2-tert-butyl-1-(3-methoxycyclohexyl)-5-methylpiperazine (PubChem CID 64844591) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 2-tert-butyl-1-(3-methoxycyclohexyl)-5-methylpiperazine.

Molecular Properties

Compound Name2-tert-butyl-1-(3-methoxycyclohexyl)-5-methylpiperazine
PubChem CID64844591
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name2-tert-butyl-1-(3-methoxycyclohexyl)-5-methylpiperazine
SMILESCOC1CCCC(N2CC(C)NCC2C(C)(C)C)C1
InChIInChI=1S/C16H32N2O/c1-12-11-18(15(10-17-12)16(2,3)4)13-7-6-8-14(9-13)19-5/h12-15,17H,6-11H2,1-5H3
InChIKeyKRTVYLSDZRYEJB-UHFFFAOYSA-N
XLogP2.65
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-(3-methoxycyclohexyl)-5-methylpiperazine?
The IUPAC name of 2-tert-butyl-1-(3-methoxycyclohexyl)-5-methylpiperazine (CID 64844591) is 2-tert-butyl-1-(3-methoxycyclohexyl)-5-methylpiperazine.
What is the SMILES notation for 2-tert-butyl-1-(3-methoxycyclohexyl)-5-methylpiperazine?
The canonical SMILES for 2-tert-butyl-1-(3-methoxycyclohexyl)-5-methylpiperazine is COC1CCCC(N2CC(C)NCC2C(C)(C)C)C1.
What is the InChIKey of 2-tert-butyl-1-(3-methoxycyclohexyl)-5-methylpiperazine?
The InChIKey is KRTVYLSDZRYEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-12-11-18(15(10-17-12)16(2,3)4)13-7-6-8-14(9-13)19-5/h12-15,17H,6-11H2,1-5H3.
What are the key properties of 2-tert-butyl-1-(3-methoxycyclohexyl)-5-methylpiperazine?
2-tert-butyl-1-(3-methoxycyclohexyl)-5-methylpiperazine has a molecular weight of 268.44 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-(3-methoxycyclohexyl)-5-methylpiperazine is sourced from PubChem (CID 64844591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).