(2-methoxy-3,4,5,6-tetramethylcyclohexyl)-(4-methylpiperazin-1-yl)methanone

C17H32N2O2 — CID 159682298

IUPAC(2-methoxy-3,4,5,6-tetramethylcyclohexyl)-(4-methylpiperazin-1-yl)methanone
SMILESCOC1C(C)C(C)C(C)C(C)C1C(=O)N1CCN(C)CC1
InChIInChI=1S/C17H32N2O2/c1-11-12(2)14(4)16(21-6)15(13(11)3)17(20)19-9-7-18(5)8-10-19/h11-16H,7-10H2,1-6H3
InChIKeyUSYIJYOWUJBDHH-UHFFFAOYSA-N
MW296.45 g/mol
LogP1.95
Rot. Bonds2

About (2-methoxy-3,4,5,6-tetramethylcyclohexyl)-(4-methylpiperazin-1-yl)methanone

(2-methoxy-3,4,5,6-tetramethylcyclohexyl)-(4-methylpiperazin-1-yl)methanone (PubChem CID 159682298) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is (2-methoxy-3,4,5,6-tetramethylcyclohexyl)-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-methoxy-3,4,5,6-tetramethylcyclohexyl)-(4-methylpiperazin-1-yl)methanone
PubChem CID159682298
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name(2-methoxy-3,4,5,6-tetramethylcyclohexyl)-(4-methylpiperazin-1-yl)methanone
SMILESCOC1C(C)C(C)C(C)C(C)C1C(=O)N1CCN(C)CC1
InChIInChI=1S/C17H32N2O2/c1-11-12(2)14(4)16(21-6)15(13(11)3)17(20)19-9-7-18(5)8-10-19/h11-16H,7-10H2,1-6H3
InChIKeyUSYIJYOWUJBDHH-UHFFFAOYSA-N
XLogP1.95
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-methoxy-3,4,5,6-tetramethylcyclohexyl)-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of (2-methoxy-3,4,5,6-tetramethylcyclohexyl)-(4-methylpiperazin-1-yl)methanone (CID 159682298) is (2-methoxy-3,4,5,6-tetramethylcyclohexyl)-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-methoxy-3,4,5,6-tetramethylcyclohexyl)-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for (2-methoxy-3,4,5,6-tetramethylcyclohexyl)-(4-methylpiperazin-1-yl)methanone is COC1C(C)C(C)C(C)C(C)C1C(=O)N1CCN(C)CC1.
What is the InChIKey of (2-methoxy-3,4,5,6-tetramethylcyclohexyl)-(4-methylpiperazin-1-yl)methanone?
The InChIKey is USYIJYOWUJBDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-11-12(2)14(4)16(21-6)15(13(11)3)17(20)19-9-7-18(5)8-10-19/h11-16H,7-10H2,1-6H3.
What are the key properties of (2-methoxy-3,4,5,6-tetramethylcyclohexyl)-(4-methylpiperazin-1-yl)methanone?
(2-methoxy-3,4,5,6-tetramethylcyclohexyl)-(4-methylpiperazin-1-yl)methanone has a molecular weight of 296.45 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-3,4,5,6-tetramethylcyclohexyl)-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 159682298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).