1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-(2,4,4-trimethylpentyl)piperidine

C22H43NO — CID 153439572

IUPAC1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-(2,4,4-trimethylpentyl)piperidine
SMILESCC(CC1CCN(CC2CC(OC(C)(C)C)C2)CC1)CC(C)(C)C
InChIInChI=1S/C22H43NO/c1-17(15-21(2,3)4)12-18-8-10-23(11-9-18)16-19-13-20(14-19)24-22(5,6)7/h17-20H,8-16H2,1-7H3
InChIKeyOFWPBZOXLCHUKK-UHFFFAOYSA-N
MW337.59 g/mol
LogP5.75
Rot. Bonds6

About 1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-(2,4,4-trimethylpentyl)piperidine

1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-(2,4,4-trimethylpentyl)piperidine (PubChem CID 153439572) has the molecular formula C22H43NO and a molecular weight of 337.59 g/mol. Its IUPAC name is 1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-(2,4,4-trimethylpentyl)piperidine.

Molecular Properties

Compound Name1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-(2,4,4-trimethylpentyl)piperidine
PubChem CID153439572
Molecular FormulaC22H43NO
Molecular Weight337.59 g/mol
Exact Mass337.33
IUPAC Name1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-(2,4,4-trimethylpentyl)piperidine
SMILESCC(CC1CCN(CC2CC(OC(C)(C)C)C2)CC1)CC(C)(C)C
InChIInChI=1S/C22H43NO/c1-17(15-21(2,3)4)12-18-8-10-23(11-9-18)16-19-13-20(14-19)24-22(5,6)7/h17-20H,8-16H2,1-7H3
InChIKeyOFWPBZOXLCHUKK-UHFFFAOYSA-N
XLogP5.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.59
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-(2,4,4-trimethylpentyl)piperidine with MolForge

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Related Compounds

2-(1-Fluoroethoxy)-6,7-di(propan-2-yl)-6-azaspiro[3.5]nonane
CID 175612383
1-Methyl-4-(4-methyloctan-4-yloxymethyl)piperidine
CID 129254247
4-[2-(4-Tert-butylcyclohexyl)oxypropan-2-yl]-1-methylpiperidine
CID 134184055
2-butyl-N-methyl-N-[4-methyl-4-(3-methylbutoxy)pentyl]tetradecan-1-amine
CID 135292902
1-(8,8-Dimethylnonyl)-4-[(2-methylpropan-2-yl)oxy]piperidine
CID 138460882
1-[[3-(2,2-Dimethylpropyl)cyclobutyl]methyl]-4-[4-[(2-methylpropan-2-yl)oxy]butoxy]piperidine
CID 146520237
4-Tert-butyl-1-[4-[(2-methylpropan-2-yl)oxy]butyl]piperidine
CID 146548050
1-(8,8-Dimethyldecyl)-4-(4-methylheptan-4-yloxy)piperidine
CID 146616489
2-Methoxy-7-methyl-7-azaspiro[3.5]nonane;octane
CID 153375931
1-[[3-[(2-Methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-(2,4,4-trimethylpentyl)piperazine
CID 153439573
1-(4,4-Dimethylpentyl)-4-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]piperazine
CID 153439596
1-(6,6-Dimethylheptyl)-4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidine
CID 153464032

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-(2,4,4-trimethylpentyl)piperidine?
The IUPAC name of 1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-(2,4,4-trimethylpentyl)piperidine (CID 153439572) is 1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-(2,4,4-trimethylpentyl)piperidine.
What is the SMILES notation for 1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-(2,4,4-trimethylpentyl)piperidine?
The canonical SMILES for 1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-(2,4,4-trimethylpentyl)piperidine is CC(CC1CCN(CC2CC(OC(C)(C)C)C2)CC1)CC(C)(C)C.
What is the InChIKey of 1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-(2,4,4-trimethylpentyl)piperidine?
The InChIKey is OFWPBZOXLCHUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43NO/c1-17(15-21(2,3)4)12-18-8-10-23(11-9-18)16-19-13-20(14-19)24-22(5,6)7/h17-20H,8-16H2,1-7H3.
What are the key properties of 1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-(2,4,4-trimethylpentyl)piperidine?
1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-(2,4,4-trimethylpentyl)piperidine has a molecular weight of 337.59 g/mol, XLogP of 5.75, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-(2,4,4-trimethylpentyl)piperidine is sourced from PubChem (CID 153439572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).