1-cyclohexyl-4-propan-2-ylpiperazine;1,4-di(propan-2-yl)piperazine;ethyl 4-propan-2-ylpiperazine-1-carboxylate;methane;1-methyl-4-propan-2-ylpiperazine;1-(4-propan-2-ylpiperazin-1-yl)ethanone

C52H112N10O3 — CID 160648885

IUPAC1-cyclohexyl-4-propan-2-ylpiperazine;1,4-di(propan-2-yl)piperazine;ethyl 4-propan-2-ylpiperazine-1-carboxylate;methane;1-methyl-4-propan-2-ylpiperazine;1-(4-propan-2-ylpiperazin-1-yl)ethanone
SMILESC.C.CC(=O)N1CCN(C(C)C)CC1.CC(C)N1CCN(C(C)C)CC1.CC(C)N1CCN(C)CC1.CC(C)N1CCN(C2CCCCC2)CC1.CCOC(=O)N1CCN(C(C)C)CC1
InChIInChI=1S/C13H26N2.C10H20N2O2.C10H22N2.C9H18N2O.C8H18N2.2CH4/c1-12(2)14-8-10-15(11-9-14)13-6-4-3-5-7-13;1-4-14-10(13)12-7-5-11(6-8-12)9(2)3;1-9(2)11-5-7-12(8-6-11)10(3)4;1-8(2)10-4-6-11(7-5-10)9(3)12;1-8(2)10-6-4-9(3)5-7-10;;/h12-13H,3-11H2,1-2H3;9H,4-8H2,1-3H3;9-10H,5-8H2,1-4H3;8H,4-7H2,1-3H3;8H,4-7H2,1-3H3;2*1H4
InChIKeyRKDQVVVGXCJDIS-UHFFFAOYSA-N
MW925.53 g/mol
LogP7.41
Rot. Bonds8

About 1-cyclohexyl-4-propan-2-ylpiperazine;1,4-di(propan-2-yl)piperazine;ethyl 4-propan-2-ylpiperazine-1-carboxylate;methane;1-methyl-4-propan-2-ylpiperazine;1-(4-propan-2-ylpiperazin-1-yl)ethanone

1-cyclohexyl-4-propan-2-ylpiperazine;1,4-di(propan-2-yl)piperazine;ethyl 4-propan-2-ylpiperazine-1-carboxylate;methane;1-methyl-4-propan-2-ylpiperazine;1-(4-propan-2-ylpiperazin-1-yl)ethanone (PubChem CID 160648885) has the molecular formula C52H112N10O3 and a molecular weight of 925.53 g/mol. Its IUPAC name is 1-cyclohexyl-4-propan-2-ylpiperazine;1,4-di(propan-2-yl)piperazine;ethyl 4-propan-2-ylpiperazine-1-carboxylate;methane;1-methyl-4-propan-2-ylpiperazine;1-(4-propan-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-cyclohexyl-4-propan-2-ylpiperazine;1,4-di(propan-2-yl)piperazine;ethyl 4-propan-2-ylpiperazine-1-carboxylate;methane;1-methyl-4-propan-2-ylpiperazine;1-(4-propan-2-ylpiperazin-1-yl)ethanone
PubChem CID160648885
Molecular FormulaC52H112N10O3
Molecular Weight925.53 g/mol
Exact Mass924.89
IUPAC Name1-cyclohexyl-4-propan-2-ylpiperazine;1,4-di(propan-2-yl)piperazine;ethyl 4-propan-2-ylpiperazine-1-carboxylate;methane;1-methyl-4-propan-2-ylpiperazine;1-(4-propan-2-ylpiperazin-1-yl)ethanone
SMILESC.C.CC(=O)N1CCN(C(C)C)CC1.CC(C)N1CCN(C(C)C)CC1.CC(C)N1CCN(C)CC1.CC(C)N1CCN(C2CCCCC2)CC1.CCOC(=O)N1CCN(C(C)C)CC1
InChIInChI=1S/C13H26N2.C10H20N2O2.C10H22N2.C9H18N2O.C8H18N2.2CH4/c1-12(2)14-8-10-15(11-9-14)13-6-4-3-5-7-13;1-4-14-10(13)12-7-5-11(6-8-12)9(2)3;1-9(2)11-5-7-12(8-6-11)10(3)4;1-8(2)10-4-6-11(7-5-10)9(3)12;1-8(2)10-6-4-9(3)5-7-10;;/h12-13H,3-11H2,1-2H3;9H,4-8H2,1-3H3;9-10H,5-8H2,1-4H3;8H,4-7H2,1-3H3;8H,4-7H2,1-3H3;2*1H4
InChIKeyRKDQVVVGXCJDIS-UHFFFAOYSA-N
XLogP7.41
TPSA75.77 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500925.53
LogP ≤ 57.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 1-cyclohexyl-4-propan-2-ylpiperazine;1,4-di(propan-2-yl)piperazine;ethyl 4-propan-2-ylpiperazine-1-carboxylate;methane;1-methyl-4-propan-2-ylpiperazine;1-(4-propan-2-ylpiperazin-1-yl)ethanone with MolForge

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Launch Full Analysis

Related Compounds

Tert-butyl 4-methylpiperidine-1-carboxylate;1,2-dimethylpiperidine;bis(1,3-dimethylpiperidine);1,4-dimethylpiperidine;ethyl 4-methylpiperidine-1-carboxylate;methane;methylcyclohexane;1-(2-methylpiperidin-1-yl)ethanone;1-(3-methylpiperidin-1-yl)ethanone
CID 158453796
Tert-butyl 4-methylpiperidine-1-carboxylate;1,2-dimethylpiperidine;bis(1,3-dimethylpiperidine);1,4-dimethylpiperidine;ethyl 4-methylpiperidine-1-carboxylate;methane;methylcyclohexane;1-(2-methylpiperidin-1-yl)ethanone;1-(3-methylpiperidin-1-yl)ethanone
CID 159712254
Tert-butyl 4-methylpiperidine-1-carboxylate;tris(1,3-dimethylpiperidine);1,4-dimethylpiperidine;ethyl 4-methylpiperidine-1-carboxylate;methane;methylcyclohexane;1-(2-methylpiperidin-1-yl)ethanone;1-(3-methylpiperidin-1-yl)ethanone
CID 161001117

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-propan-2-ylpiperazine;1,4-di(propan-2-yl)piperazine;ethyl 4-propan-2-ylpiperazine-1-carboxylate;methane;1-methyl-4-propan-2-ylpiperazine;1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 1-cyclohexyl-4-propan-2-ylpiperazine;1,4-di(propan-2-yl)piperazine;ethyl 4-propan-2-ylpiperazine-1-carboxylate;methane;1-methyl-4-propan-2-ylpiperazine;1-(4-propan-2-ylpiperazin-1-yl)ethanone (CID 160648885) is 1-cyclohexyl-4-propan-2-ylpiperazine;1,4-di(propan-2-yl)piperazine;ethyl 4-propan-2-ylpiperazine-1-carboxylate;methane;1-methyl-4-propan-2-ylpiperazine;1-(4-propan-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-cyclohexyl-4-propan-2-ylpiperazine;1,4-di(propan-2-yl)piperazine;ethyl 4-propan-2-ylpiperazine-1-carboxylate;methane;1-methyl-4-propan-2-ylpiperazine;1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-cyclohexyl-4-propan-2-ylpiperazine;1,4-di(propan-2-yl)piperazine;ethyl 4-propan-2-ylpiperazine-1-carboxylate;methane;1-methyl-4-propan-2-ylpiperazine;1-(4-propan-2-ylpiperazin-1-yl)ethanone is C.C.CC(=O)N1CCN(C(C)C)CC1.CC(C)N1CCN(C(C)C)CC1.CC(C)N1CCN(C)CC1.CC(C)N1CCN(C2CCCCC2)CC1.CCOC(=O)N1CCN(C(C)C)CC1.
What is the InChIKey of 1-cyclohexyl-4-propan-2-ylpiperazine;1,4-di(propan-2-yl)piperazine;ethyl 4-propan-2-ylpiperazine-1-carboxylate;methane;1-methyl-4-propan-2-ylpiperazine;1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The InChIKey is RKDQVVVGXCJDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2.C10H20N2O2.C10H22N2.C9H18N2O.C8H18N2.2CH4/c1-12(2)14-8-10-15(11-9-14)13-6-4-3-5-7-13;1-4-14-10(13)12-7-5-11(6-8-12)9(2)3;1-9(2)11-5-7-12(8-6-11)10(3)4;1-8(2)10-4-6-11(7-5-10)9(3)12;1-8(2)10-6-4-9(3)5-7-10;;/h12-13H,3-11H2,1-2H3;9H,4-8H2,1-3H3;9-10H,5-8H2,1-4H3;8H,4-7H2,1-3H3;8H,4-7H2,1-3H3;2*1H4.
What are the key properties of 1-cyclohexyl-4-propan-2-ylpiperazine;1,4-di(propan-2-yl)piperazine;ethyl 4-propan-2-ylpiperazine-1-carboxylate;methane;1-methyl-4-propan-2-ylpiperazine;1-(4-propan-2-ylpiperazin-1-yl)ethanone?
1-cyclohexyl-4-propan-2-ylpiperazine;1,4-di(propan-2-yl)piperazine;ethyl 4-propan-2-ylpiperazine-1-carboxylate;methane;1-methyl-4-propan-2-ylpiperazine;1-(4-propan-2-ylpiperazin-1-yl)ethanone has a molecular weight of 925.53 g/mol, XLogP of 7.41, 8 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-propan-2-ylpiperazine;1,4-di(propan-2-yl)piperazine;ethyl 4-propan-2-ylpiperazine-1-carboxylate;methane;1-methyl-4-propan-2-ylpiperazine;1-(4-propan-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 160648885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).