2-(3-methoxy-3-methylpiperidin-1-yl)-2-(1-propylpyrazol-4-yl)ethanamine

C15H28N4O — CID 107391436

IUPAC2-(3-methoxy-3-methylpiperidin-1-yl)-2-(1-propylpyrazol-4-yl)ethanamine
SMILESCCCn1cc(C(CN)N2CCCC(C)(OC)C2)cn1
InChIInChI=1S/C15H28N4O/c1-4-7-19-11-13(10-17-19)14(9-16)18-8-5-6-15(2,12-18)20-3/h10-11,14H,4-9,12,16H2,1-3H3
InChIKeyXAQWEZGJOOFDQP-UHFFFAOYSA-N
MW280.42 g/mol
LogP1.79
Rot. Bonds6

About 2-(3-methoxy-3-methylpiperidin-1-yl)-2-(1-propylpyrazol-4-yl)ethanamine

2-(3-methoxy-3-methylpiperidin-1-yl)-2-(1-propylpyrazol-4-yl)ethanamine (PubChem CID 107391436) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 2-(3-methoxy-3-methylpiperidin-1-yl)-2-(1-propylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(3-methoxy-3-methylpiperidin-1-yl)-2-(1-propylpyrazol-4-yl)ethanamine
PubChem CID107391436
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name2-(3-methoxy-3-methylpiperidin-1-yl)-2-(1-propylpyrazol-4-yl)ethanamine
SMILESCCCn1cc(C(CN)N2CCCC(C)(OC)C2)cn1
InChIInChI=1S/C15H28N4O/c1-4-7-19-11-13(10-17-19)14(9-16)18-8-5-6-15(2,12-18)20-3/h10-11,14H,4-9,12,16H2,1-3H3
InChIKeyXAQWEZGJOOFDQP-UHFFFAOYSA-N
XLogP1.79
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,3-dimethylpiperidin-1-yl)-2-(1-propylpyrazol-4-yl)ethanamine
CID 103571894
2-(3,3-dimethylpiperidin-1-yl)-2-(1-ethylpyrazol-4-yl)ethanamine
CID 103569630
2-(3,5-dimethylphenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine
CID 107391351
2-(3-methoxy-3-methylpiperidin-1-yl)-2-(4-methoxyphenyl)ethanamine
CID 107390754
2-(4-bromophenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine
CID 107390778
2-(2-propan-2-ylpyrrolidin-1-yl)-2-(1-propylpyrazol-4-yl)ethanamine
CID 103571938
2-(4-cyclopropylpiperazin-1-yl)-2-(1-propylpyrazol-4-yl)ethanamine
CID 103571785
2-(5-chlorothiophen-2-yl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine
CID 107390745
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(1-propylpyrazol-4-yl)ethanamine
CID 103572014
(1-methoxycyclobutyl)-(1-propylpyrazol-4-yl)methanamine
CID 116714074
2-(3-methoxy-3-methylpiperidin-1-yl)-2-(3-methylthiophen-2-yl)ethanamine
CID 107390770
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(1-propylpyrazol-4-yl)ethanamine
CID 103571951

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-3-methylpiperidin-1-yl)-2-(1-propylpyrazol-4-yl)ethanamine?
The IUPAC name of 2-(3-methoxy-3-methylpiperidin-1-yl)-2-(1-propylpyrazol-4-yl)ethanamine (CID 107391436) is 2-(3-methoxy-3-methylpiperidin-1-yl)-2-(1-propylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 2-(3-methoxy-3-methylpiperidin-1-yl)-2-(1-propylpyrazol-4-yl)ethanamine?
The canonical SMILES for 2-(3-methoxy-3-methylpiperidin-1-yl)-2-(1-propylpyrazol-4-yl)ethanamine is CCCn1cc(C(CN)N2CCCC(C)(OC)C2)cn1.
What is the InChIKey of 2-(3-methoxy-3-methylpiperidin-1-yl)-2-(1-propylpyrazol-4-yl)ethanamine?
The InChIKey is XAQWEZGJOOFDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-4-7-19-11-13(10-17-19)14(9-16)18-8-5-6-15(2,12-18)20-3/h10-11,14H,4-9,12,16H2,1-3H3.
What are the key properties of 2-(3-methoxy-3-methylpiperidin-1-yl)-2-(1-propylpyrazol-4-yl)ethanamine?
2-(3-methoxy-3-methylpiperidin-1-yl)-2-(1-propylpyrazol-4-yl)ethanamine has a molecular weight of 280.42 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-3-methylpiperidin-1-yl)-2-(1-propylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 107391436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).