1-[2-(3-methoxy-3-methylpiperidin-1-yl)ethyl]pyrazol-3-amine

C12H22N4O — CID 107390668

IUPAC1-[2-(3-methoxy-3-methylpiperidin-1-yl)ethyl]pyrazol-3-amine
SMILESCOC1(C)CCCN(CCn2ccc(N)n2)C1
InChIInChI=1S/C12H22N4O/c1-12(17-2)5-3-6-15(10-12)8-9-16-7-4-11(13)14-16/h4,7H,3,5-6,8-10H2,1-2H3,(H2,13,14)
InChIKeyHUVIMORLNGZTLA-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.97
Rot. Bonds4

About 1-[2-(3-methoxy-3-methylpiperidin-1-yl)ethyl]pyrazol-3-amine

1-[2-(3-methoxy-3-methylpiperidin-1-yl)ethyl]pyrazol-3-amine (PubChem CID 107390668) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-[2-(3-methoxy-3-methylpiperidin-1-yl)ethyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[2-(3-methoxy-3-methylpiperidin-1-yl)ethyl]pyrazol-3-amine
PubChem CID107390668
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name1-[2-(3-methoxy-3-methylpiperidin-1-yl)ethyl]pyrazol-3-amine
SMILESCOC1(C)CCCN(CCn2ccc(N)n2)C1
InChIInChI=1S/C12H22N4O/c1-12(17-2)5-3-6-15(10-12)8-9-16-7-4-11(13)14-16/h4,7H,3,5-6,8-10H2,1-2H3,(H2,13,14)
InChIKeyHUVIMORLNGZTLA-UHFFFAOYSA-N
XLogP0.97
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(2,2-dimethylmorpholin-4-yl)ethyl]pyrazol-3-amine
CID 63318013
1-[2-(3-aminopyrazol-1-yl)ethyl]-3-methylpyrrolidine-3-carboxamide
CID 114081781
4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]aniline
CID 107390674
1-[2-(8-azaspiro[4.5]decan-8-yl)ethyl]pyrazol-3-amine
CID 63315886
2-(3-methoxy-3-methylpiperidin-1-yl)ethanethiol
CID 107396245
5-chloro-6-[(3-methoxy-3-methylpiperidin-1-yl)methyl]pyridin-2-amine
CID 107394965
2-(3-methoxy-3-methylpiperidin-1-yl)-N-methylethanamine
CID 107391084
[3-fluoro-5-[(3-methoxy-3-methylpiperidin-1-yl)methyl]phenyl]methanamine
CID 107390827
1-(4-fluorophenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine
CID 107522247
1-(2-fluorophenyl)-3-(3-methoxy-3-methylpiperidin-1-yl)propan-1-amine
CID 107395164
1-(5-bromopentyl)-3-methoxy-3-methylpiperidine
CID 107394409
4-(3-methoxy-3-methylpiperidin-1-yl)butan-2-one
CID 107393646

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxy-3-methylpiperidin-1-yl)ethyl]pyrazol-3-amine?
The IUPAC name of 1-[2-(3-methoxy-3-methylpiperidin-1-yl)ethyl]pyrazol-3-amine (CID 107390668) is 1-[2-(3-methoxy-3-methylpiperidin-1-yl)ethyl]pyrazol-3-amine.
What is the SMILES notation for 1-[2-(3-methoxy-3-methylpiperidin-1-yl)ethyl]pyrazol-3-amine?
The canonical SMILES for 1-[2-(3-methoxy-3-methylpiperidin-1-yl)ethyl]pyrazol-3-amine is COC1(C)CCCN(CCn2ccc(N)n2)C1.
What is the InChIKey of 1-[2-(3-methoxy-3-methylpiperidin-1-yl)ethyl]pyrazol-3-amine?
The InChIKey is HUVIMORLNGZTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-12(17-2)5-3-6-15(10-12)8-9-16-7-4-11(13)14-16/h4,7H,3,5-6,8-10H2,1-2H3,(H2,13,14).
What are the key properties of 1-[2-(3-methoxy-3-methylpiperidin-1-yl)ethyl]pyrazol-3-amine?
1-[2-(3-methoxy-3-methylpiperidin-1-yl)ethyl]pyrazol-3-amine has a molecular weight of 238.33 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methoxy-3-methylpiperidin-1-yl)ethyl]pyrazol-3-amine is sourced from PubChem (CID 107390668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).