1-butyl-2-methyl-4-propan-2-ylpiperazine;1-methyl-4-(2-methylpropyl)cyclohexane

C23H48N2 — CID 170569172

IUPAC1-butyl-2-methyl-4-propan-2-ylpiperazine;1-methyl-4-(2-methylpropyl)cyclohexane
SMILESCC(C)CC1CCC(C)CC1.CCCCN1CCN(C(C)C)CC1C
InChIInChI=1S/C12H26N2.C11H22/c1-5-6-7-13-8-9-14(11(2)3)10-12(13)4;1-9(2)8-11-6-4-10(3)5-7-11/h11-12H,5-10H2,1-4H3;9-11H,4-8H2,1-3H3
InChIKeyQXBJYTJFYQPAGJ-UHFFFAOYSA-N
MW352.65 g/mol
LogP6.06
Rot. Bonds6

About 1-butyl-2-methyl-4-propan-2-ylpiperazine;1-methyl-4-(2-methylpropyl)cyclohexane

1-butyl-2-methyl-4-propan-2-ylpiperazine;1-methyl-4-(2-methylpropyl)cyclohexane (PubChem CID 170569172) has the molecular formula C23H48N2 and a molecular weight of 352.65 g/mol. Its IUPAC name is 1-butyl-2-methyl-4-propan-2-ylpiperazine;1-methyl-4-(2-methylpropyl)cyclohexane.

Molecular Properties

Compound Name1-butyl-2-methyl-4-propan-2-ylpiperazine;1-methyl-4-(2-methylpropyl)cyclohexane
PubChem CID170569172
Molecular FormulaC23H48N2
Molecular Weight352.65 g/mol
Exact Mass352.38
IUPAC Name1-butyl-2-methyl-4-propan-2-ylpiperazine;1-methyl-4-(2-methylpropyl)cyclohexane
SMILESCC(C)CC1CCC(C)CC1.CCCCN1CCN(C(C)C)CC1C
InChIInChI=1S/C12H26N2.C11H22/c1-5-6-7-13-8-9-14(11(2)3)10-12(13)4;1-9(2)8-11-6-4-10(3)5-7-11/h11-12H,5-10H2,1-4H3;9-11H,4-8H2,1-3H3
InChIKeyQXBJYTJFYQPAGJ-UHFFFAOYSA-N
XLogP6.06
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.65
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-methyl-4-propan-2-yl-1-[4-(4-propan-2-yloxycyclohexyl)butyl]piperazine
CID 170372476
(2R)-1-[4-(4-methoxycyclohexyl)butyl]-2-methyl-4-propan-2-ylpiperazine
CID 175636165
N-[2-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]ethyl]propan-2-amine
CID 170184827
(2-methyl-4-propan-2-ylpiperazin-1-yl)methanethiol
CID 167106909
2-methyl-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]-1-propylpiperazine
CID 166466780
1-hexyl-4-(2-methylpropyl)piperidine
CID 157305841
1-butyl-2,5-dimethylpiperidine
CID 130702123
1-butyl-2-methylpyrrolidine;hydrobromide
CID 174642317
3-pentyl-1-propan-2-ylpyrrolidine
CID 145194112
1-hexyl-3-(2-methylpropyl)pyrrolidine
CID 169242044
(3S,5R)-1-butyl-5-(2-methylpropyl)pyrrolidin-3-ol
CID 124744564
(2R,7R)-1,2,7-trimethyl-4-propan-2-yl-1,4-diazepane
CID 176748171

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-methyl-4-propan-2-ylpiperazine;1-methyl-4-(2-methylpropyl)cyclohexane?
The IUPAC name of 1-butyl-2-methyl-4-propan-2-ylpiperazine;1-methyl-4-(2-methylpropyl)cyclohexane (CID 170569172) is 1-butyl-2-methyl-4-propan-2-ylpiperazine;1-methyl-4-(2-methylpropyl)cyclohexane.
What is the SMILES notation for 1-butyl-2-methyl-4-propan-2-ylpiperazine;1-methyl-4-(2-methylpropyl)cyclohexane?
The canonical SMILES for 1-butyl-2-methyl-4-propan-2-ylpiperazine;1-methyl-4-(2-methylpropyl)cyclohexane is CC(C)CC1CCC(C)CC1.CCCCN1CCN(C(C)C)CC1C.
What is the InChIKey of 1-butyl-2-methyl-4-propan-2-ylpiperazine;1-methyl-4-(2-methylpropyl)cyclohexane?
The InChIKey is QXBJYTJFYQPAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2.C11H22/c1-5-6-7-13-8-9-14(11(2)3)10-12(13)4;1-9(2)8-11-6-4-10(3)5-7-11/h11-12H,5-10H2,1-4H3;9-11H,4-8H2,1-3H3.
What are the key properties of 1-butyl-2-methyl-4-propan-2-ylpiperazine;1-methyl-4-(2-methylpropyl)cyclohexane?
1-butyl-2-methyl-4-propan-2-ylpiperazine;1-methyl-4-(2-methylpropyl)cyclohexane has a molecular weight of 352.65 g/mol, XLogP of 6.06, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-methyl-4-propan-2-ylpiperazine;1-methyl-4-(2-methylpropyl)cyclohexane is sourced from PubChem (CID 170569172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).