1-(3-methoxy-4-methylpiperidin-1-yl)-N-methylbutan-2-amine

C12H26N2O — CID 102965443

IUPAC1-(3-methoxy-4-methylpiperidin-1-yl)-N-methylbutan-2-amine
SMILESCCC(CN1CCC(C)C(OC)C1)NC
InChIInChI=1S/C12H26N2O/c1-5-11(13-3)8-14-7-6-10(2)12(9-14)15-4/h10-13H,5-9H2,1-4H3
InChIKeyXBKGOQDDMXMQLD-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.34
Rot. Bonds5

About 1-(3-methoxy-4-methylpiperidin-1-yl)-N-methylbutan-2-amine

1-(3-methoxy-4-methylpiperidin-1-yl)-N-methylbutan-2-amine (PubChem CID 102965443) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-(3-methoxy-4-methylpiperidin-1-yl)-N-methylbutan-2-amine.

Molecular Properties

Compound Name1-(3-methoxy-4-methylpiperidin-1-yl)-N-methylbutan-2-amine
PubChem CID102965443
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name1-(3-methoxy-4-methylpiperidin-1-yl)-N-methylbutan-2-amine
SMILESCCC(CN1CCC(C)C(OC)C1)NC
InChIInChI=1S/C12H26N2O/c1-5-11(13-3)8-14-7-6-10(2)12(9-14)15-4/h10-13H,5-9H2,1-4H3
InChIKeyXBKGOQDDMXMQLD-UHFFFAOYSA-N
XLogP1.34
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxypyrrolidin-1-yl)-N-methylbutan-2-amine
CID 103532310
4-(3-methoxy-4-methylpiperidin-1-yl)-2-(methylamino)butan-1-ol
CID 102968904
1-[(3S,4R)-3-methoxy-4-methylpiperidin-1-yl]-3-[(3S,4S)-3-methoxy-4-methylpiperidin-1-yl]propan-2-ol
CID 124829258
(2S)-1-(3-methoxy-4-methylpiperidin-1-yl)propan-2-amine
CID 102965393
1-cyclopropyl-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine
CID 102965354
1-(3,5-dimethylphenyl)-2-(3-methoxy-4-methylpiperidin-1-yl)-N-methylethanamine
CID 102965330
ethyl 2-amino-3-(3-methoxy-4-methylpiperidin-1-yl)propanoate
CID 102966332
N-ethyl-4-(3-methoxy-4-methylpiperidin-1-yl)butan-2-amine
CID 102963478
1-(3,4-dimethylpiperazin-1-yl)-N-methylbutan-2-amine
CID 63608575
ethyl 2-(cyclopropylamino)-3-(3-methoxy-4-methylpiperidin-1-yl)propanoate
CID 102966348
1-(3,4-dimethoxypyrrolidin-1-yl)-N-ethylbutan-2-amine
CID 103532546
2-(3-methoxy-4-methylpiperidin-1-yl)ethanethiol
CID 102969172

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-4-methylpiperidin-1-yl)-N-methylbutan-2-amine?
The IUPAC name of 1-(3-methoxy-4-methylpiperidin-1-yl)-N-methylbutan-2-amine (CID 102965443) is 1-(3-methoxy-4-methylpiperidin-1-yl)-N-methylbutan-2-amine.
What is the SMILES notation for 1-(3-methoxy-4-methylpiperidin-1-yl)-N-methylbutan-2-amine?
The canonical SMILES for 1-(3-methoxy-4-methylpiperidin-1-yl)-N-methylbutan-2-amine is CCC(CN1CCC(C)C(OC)C1)NC.
What is the InChIKey of 1-(3-methoxy-4-methylpiperidin-1-yl)-N-methylbutan-2-amine?
The InChIKey is XBKGOQDDMXMQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-5-11(13-3)8-14-7-6-10(2)12(9-14)15-4/h10-13H,5-9H2,1-4H3.
What are the key properties of 1-(3-methoxy-4-methylpiperidin-1-yl)-N-methylbutan-2-amine?
1-(3-methoxy-4-methylpiperidin-1-yl)-N-methylbutan-2-amine has a molecular weight of 214.35 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-4-methylpiperidin-1-yl)-N-methylbutan-2-amine is sourced from PubChem (CID 102965443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).