1-butyl-2,2-dimethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-yloxycyclohexane

C23H48N2O — CID 170569259

IUPAC1-butyl-2,2-dimethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-yloxycyclohexane
SMILESCC1CCC(OC(C)C)CC1.CCCCN1CCN(C(C)C)CC1(C)C
InChIInChI=1S/C13H28N2.C10H20O/c1-6-7-8-15-10-9-14(12(2)3)11-13(15,4)5;1-8(2)11-10-6-4-9(3)5-7-10/h12H,6-11H2,1-5H3;8-10H,4-7H2,1-3H3
InChIKeyHRAAKWMOZIKZJV-UHFFFAOYSA-N
MW368.65 g/mol
LogP5.58
Rot. Bonds6

About 1-butyl-2,2-dimethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-yloxycyclohexane

1-butyl-2,2-dimethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-yloxycyclohexane (PubChem CID 170569259) has the molecular formula C23H48N2O and a molecular weight of 368.65 g/mol. Its IUPAC name is 1-butyl-2,2-dimethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-yloxycyclohexane.

Molecular Properties

Compound Name1-butyl-2,2-dimethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-yloxycyclohexane
PubChem CID170569259
Molecular FormulaC23H48N2O
Molecular Weight368.65 g/mol
Exact Mass368.38
IUPAC Name1-butyl-2,2-dimethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-yloxycyclohexane
SMILESCC1CCC(OC(C)C)CC1.CCCCN1CCN(C(C)C)CC1(C)C
InChIInChI=1S/C13H28N2.C10H20O/c1-6-7-8-15-10-9-14(12(2)3)11-13(15,4)5;1-8(2)11-10-6-4-9(3)5-7-10/h12H,6-11H2,1-5H3;8-10H,4-7H2,1-3H3
InChIKeyHRAAKWMOZIKZJV-UHFFFAOYSA-N
XLogP5.58
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.65
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-methyl-4-propan-2-yl-1-[4-(4-propan-2-yloxycyclohexyl)butyl]piperazine
CID 170372476
1-butyl-2-methyl-4-propan-2-ylpiperazine;1-methyl-4-(2-methylpropyl)cyclohexane
CID 170569172
(2S)-4-propan-2-yl-1-[3-(4-propan-2-yloxycyclohexyl)propyl]-2-(trifluoromethyl)piperazine
CID 170372986
1-heptan-2-yloxy-4-methylcyclohexane
CID 71132789
1-[(3R)-3-methyl-4-(4-propan-2-yloxycyclohexyl)butyl]-4-propan-2-ylpiperazine
CID 170375311
ethane;2,2,4-trimethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine
CID 170616900
1-butan-2-yl-4-propan-2-yloxycyclohexane
CID 23528463
heptane;1-methyl-4-propan-2-ylcyclohexane
CID 145172646
3-[(2,2-dimethyl-4-propan-2-ylpiperazin-1-yl)methyl]-N-methylhexan-1-amine;ethane
CID 170629385
1-[2-methyl-4-(4-propan-2-yloxycyclohexyl)butan-2-yl]-4-propan-2-ylpiperazine
CID 170372805
1-propan-2-yl-3-propan-2-yloxypyrrolidine
CID 66606030
1-ethyl-2-fluoro-2-methyl-4-propan-2-ylpiperazine
CID 171505820

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2,2-dimethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-yloxycyclohexane?
The IUPAC name of 1-butyl-2,2-dimethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-yloxycyclohexane (CID 170569259) is 1-butyl-2,2-dimethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-yloxycyclohexane.
What is the SMILES notation for 1-butyl-2,2-dimethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-yloxycyclohexane?
The canonical SMILES for 1-butyl-2,2-dimethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-yloxycyclohexane is CC1CCC(OC(C)C)CC1.CCCCN1CCN(C(C)C)CC1(C)C.
What is the InChIKey of 1-butyl-2,2-dimethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-yloxycyclohexane?
The InChIKey is HRAAKWMOZIKZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2.C10H20O/c1-6-7-8-15-10-9-14(12(2)3)11-13(15,4)5;1-8(2)11-10-6-4-9(3)5-7-10/h12H,6-11H2,1-5H3;8-10H,4-7H2,1-3H3.
What are the key properties of 1-butyl-2,2-dimethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-yloxycyclohexane?
1-butyl-2,2-dimethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-yloxycyclohexane has a molecular weight of 368.65 g/mol, XLogP of 5.58, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2,2-dimethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-yloxycyclohexane is sourced from PubChem (CID 170569259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).