ethane;4-methoxy-1-(3-methylbutyl)piperidine

C13H29NO — CID 155574416

IUPACethane;4-methoxy-1-(3-methylbutyl)piperidine
SMILESCC.COC1CCN(CCC(C)C)CC1
InChIInChI=1S/C11H23NO.C2H6/c1-10(2)4-7-12-8-5-11(13-3)6-9-12;1-2/h10-11H,4-9H2,1-3H3;1-2H3
InChIKeyLXIGQMGKNGWVGY-UHFFFAOYSA-N
MW215.38 g/mol
LogP3.17
Rot. Bonds4

About ethane;4-methoxy-1-(3-methylbutyl)piperidine

ethane;4-methoxy-1-(3-methylbutyl)piperidine (PubChem CID 155574416) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is ethane;4-methoxy-1-(3-methylbutyl)piperidine.

Molecular Properties

Compound Nameethane;4-methoxy-1-(3-methylbutyl)piperidine
PubChem CID155574416
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Nameethane;4-methoxy-1-(3-methylbutyl)piperidine
SMILESCC.COC1CCN(CCC(C)C)CC1
InChIInChI=1S/C11H23NO.C2H6/c1-10(2)4-7-12-8-5-11(13-3)6-9-12;1-2/h10-11H,4-9H2,1-3H3;1-2H3
InChIKeyLXIGQMGKNGWVGY-UHFFFAOYSA-N
XLogP3.17
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromoethyl)-4-methoxypiperidine
CID 61286304
4-(4-methoxypiperidin-1-yl)-2-(propan-2-ylamino)butan-1-ol
CID 64796609
1-(2,2-dimethylpropyl)-4-[1-(3-methylbutyl)piperidin-4-yl]oxypiperidine
CID 165372771
2-ethyl-4-(4-methoxypiperidin-1-yl)butan-1-amine
CID 81079775
4-(4-methoxypiperidin-1-yl)-N-(2-methylpropyl)butan-1-amine
CID 62422628
1-butyl-4-methoxypiperidine
CID 58602973
formaldehyde;4-methyl-1-(3-methylbutyl)piperidine
CID 143870022
1-[4-[1-(3-methylbutyl)piperidin-4-yl]oxypiperidin-1-yl]propan-1-one
CID 91916307
3-fluoro-1-(3-methylbutyl)pyrrolidine
CID 67990286
[1-(3-methylbutyl)pyrrolidin-3-yl] carbamate
CID 174922381
1-(3-methylbutyl)-4-propan-2-ylsulfanylpiperidine
CID 167480358
1-(3-methylbutyl)-N-propan-2-ylpiperidin-4-amine
CID 164928841

Frequently Asked Questions

What is the IUPAC name of ethane;4-methoxy-1-(3-methylbutyl)piperidine?
The IUPAC name of ethane;4-methoxy-1-(3-methylbutyl)piperidine (CID 155574416) is ethane;4-methoxy-1-(3-methylbutyl)piperidine.
What is the SMILES notation for ethane;4-methoxy-1-(3-methylbutyl)piperidine?
The canonical SMILES for ethane;4-methoxy-1-(3-methylbutyl)piperidine is CC.COC1CCN(CCC(C)C)CC1.
What is the InChIKey of ethane;4-methoxy-1-(3-methylbutyl)piperidine?
The InChIKey is LXIGQMGKNGWVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO.C2H6/c1-10(2)4-7-12-8-5-11(13-3)6-9-12;1-2/h10-11H,4-9H2,1-3H3;1-2H3.
What are the key properties of ethane;4-methoxy-1-(3-methylbutyl)piperidine?
ethane;4-methoxy-1-(3-methylbutyl)piperidine has a molecular weight of 215.38 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methoxy-1-(3-methylbutyl)piperidine is sourced from PubChem (CID 155574416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).