butan-2-ylcyclohexane;2-(methoxymethyl)-1-methyl-4-propan-2-ylpiperazine

C20H42N2O — CID 170953550

IUPACbutan-2-ylcyclohexane;2-(methoxymethyl)-1-methyl-4-propan-2-ylpiperazine
SMILESCCC(C)C1CCCCC1.COCC1CN(C(C)C)CCN1C
InChIInChI=1S/C10H22N2O.C10H20/c1-9(2)12-6-5-11(3)10(7-12)8-13-4;1-3-9(2)10-7-5-4-6-8-10/h9-10H,5-8H2,1-4H3;9-10H,3-8H2,1-2H3
InChIKeyGIAJMCVPVPCGGJ-UHFFFAOYSA-N
MW326.57 g/mol
LogP4.27
Rot. Bonds5

About butan-2-ylcyclohexane;2-(methoxymethyl)-1-methyl-4-propan-2-ylpiperazine

butan-2-ylcyclohexane;2-(methoxymethyl)-1-methyl-4-propan-2-ylpiperazine (PubChem CID 170953550) has the molecular formula C20H42N2O and a molecular weight of 326.57 g/mol. Its IUPAC name is butan-2-ylcyclohexane;2-(methoxymethyl)-1-methyl-4-propan-2-ylpiperazine.

Molecular Properties

Compound Namebutan-2-ylcyclohexane;2-(methoxymethyl)-1-methyl-4-propan-2-ylpiperazine
PubChem CID170953550
Molecular FormulaC20H42N2O
Molecular Weight326.57 g/mol
Exact Mass326.33
IUPAC Namebutan-2-ylcyclohexane;2-(methoxymethyl)-1-methyl-4-propan-2-ylpiperazine
SMILESCCC(C)C1CCCCC1.COCC1CN(C(C)C)CCN1C
InChIInChI=1S/C10H22N2O.C10H20/c1-9(2)12-6-5-11(3)10(7-12)8-13-4;1-3-9(2)10-7-5-4-6-8-10/h9-10H,5-8H2,1-4H3;9-10H,3-8H2,1-2H3
InChIKeyGIAJMCVPVPCGGJ-UHFFFAOYSA-N
XLogP4.27
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.57
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-Fluoro-4-propan-2-ylcyclohexyl)-4-(oxetan-3-yl)piperazine
CID 140709103
(2R)-2-(difluoromethoxymethyl)-4-propan-2-yl-1-[(4-propan-2-ylcyclohexyl)methyl]piperazine
CID 171598564
N-[3-[1,6-bis(2-methylpropyl)piperidin-3-yl]-2-methylpropyl]-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 137510876
3-[1,6-bis(2-methylpropyl)piperidin-3-yl]-N-(2-methoxyethyl)-2-methyl-N-propylpropan-1-amine
CID 137511323
2-(Methoxymethyl)-1-methyl-4-(3-methylnonan-3-yl)piperazine
CID 139319931
(2R)-2-methyl-1-(oxetan-3-yl)-4-(4-propan-2-ylcyclohexyl)piperazine
CID 140709121
1-(3-Methyloxetan-3-yl)-4-(4-propan-2-ylcyclohexyl)piperazine
CID 140709124
1-(Oxetan-3-ylmethyl)-4-(4-propan-2-ylcyclohexyl)piperazine
CID 140709133
(2S)-2-methyl-4-(oxetan-3-yl)-1-(4-propan-2-ylcyclohexyl)piperazine
CID 140709140
(2R,5S)-2,5-dimethyl-1-(oxetan-3-yl)-4-(4-propan-2-ylcyclohexyl)piperazine
CID 140709152
(2R)-2-methyl-4-(oxetan-3-yl)-1-(4-propan-2-ylcyclohexyl)piperazine
CID 140709158
(4R)-1-(2-methoxyethyl)-2-[(4S)-1-(3-methoxypropyl)-4-methylpiperidin-2-yl]-4-methylpiperidine
CID 155077262

Frequently Asked Questions

What is the IUPAC name of butan-2-ylcyclohexane;2-(methoxymethyl)-1-methyl-4-propan-2-ylpiperazine?
The IUPAC name of butan-2-ylcyclohexane;2-(methoxymethyl)-1-methyl-4-propan-2-ylpiperazine (CID 170953550) is butan-2-ylcyclohexane;2-(methoxymethyl)-1-methyl-4-propan-2-ylpiperazine.
What is the SMILES notation for butan-2-ylcyclohexane;2-(methoxymethyl)-1-methyl-4-propan-2-ylpiperazine?
The canonical SMILES for butan-2-ylcyclohexane;2-(methoxymethyl)-1-methyl-4-propan-2-ylpiperazine is CCC(C)C1CCCCC1.COCC1CN(C(C)C)CCN1C.
What is the InChIKey of butan-2-ylcyclohexane;2-(methoxymethyl)-1-methyl-4-propan-2-ylpiperazine?
The InChIKey is GIAJMCVPVPCGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O.C10H20/c1-9(2)12-6-5-11(3)10(7-12)8-13-4;1-3-9(2)10-7-5-4-6-8-10/h9-10H,5-8H2,1-4H3;9-10H,3-8H2,1-2H3.
What are the key properties of butan-2-ylcyclohexane;2-(methoxymethyl)-1-methyl-4-propan-2-ylpiperazine?
butan-2-ylcyclohexane;2-(methoxymethyl)-1-methyl-4-propan-2-ylpiperazine has a molecular weight of 326.57 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-ylcyclohexane;2-(methoxymethyl)-1-methyl-4-propan-2-ylpiperazine is sourced from PubChem (CID 170953550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).