1-[3-(3-methoxypiperidin-1-yl)propyl]pyrazol-3-amine

C12H22N4O — CID 102956385

IUPAC1-[3-(3-methoxypiperidin-1-yl)propyl]pyrazol-3-amine
SMILESCOC1CCCN(CCCn2ccc(N)n2)C1
InChIInChI=1S/C12H22N4O/c1-17-11-4-2-6-15(10-11)7-3-8-16-9-5-12(13)14-16/h5,9,11H,2-4,6-8,10H2,1H3,(H2,13,14)
InChIKeyKQAHRWCZRPDOOJ-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.97
Rot. Bonds5

About 1-[3-(3-methoxypiperidin-1-yl)propyl]pyrazol-3-amine

1-[3-(3-methoxypiperidin-1-yl)propyl]pyrazol-3-amine (PubChem CID 102956385) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-[3-(3-methoxypiperidin-1-yl)propyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[3-(3-methoxypiperidin-1-yl)propyl]pyrazol-3-amine
PubChem CID102956385
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name1-[3-(3-methoxypiperidin-1-yl)propyl]pyrazol-3-amine
SMILESCOC1CCCN(CCCn2ccc(N)n2)C1
InChIInChI=1S/C12H22N4O/c1-17-11-4-2-6-15(10-11)7-3-8-16-9-5-12(13)14-16/h5,9,11H,2-4,6-8,10H2,1H3,(H2,13,14)
InChIKeyKQAHRWCZRPDOOJ-UHFFFAOYSA-N
XLogP0.97
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
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-[3-[3-(methoxymethyl)pyrrolidin-1-yl]propyl]pyrazol-3-amine
CID 64569426
1-[3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propyl]pyrazol-3-amine
CID 81198155
3-methoxy-1-(4-phenylbutyl)piperidine
CID 137341272
1-[4-[3-(3-aminopyrazol-1-yl)propyl]piperazin-1-yl]ethanone
CID 55206182
1-[2-(2-methylpyrrolidin-1-yl)ethyl]pyrazol-3-amine
CID 63318333
4-[(3-methoxypiperidin-1-yl)methyl]pyridine
CID 131702809
1-[2-(3-aminopyrazol-1-yl)ethyl]-4-methylpiperidin-3-ol
CID 102955985
1-benzyl-4-[2-(3-methoxypiperidin-1-yl)ethyl]piperazine
CID 91837664
1-[2-(3-methoxypiperidin-1-yl)ethyl]piperidin-4-amine
CID 102963901
1-[2-(2-ethylpyrrolidin-1-yl)ethyl]pyrazol-3-amine
CID 63318334
1-[2-(2-methylcyclohexyl)oxyethyl]pyrazol-3-amine
CID 63315810
6-[(3-methoxypiperidin-1-yl)methyl]pyridin-3-amine
CID 102963724

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-methoxypiperidin-1-yl)propyl]pyrazol-3-amine?
The IUPAC name of 1-[3-(3-methoxypiperidin-1-yl)propyl]pyrazol-3-amine (CID 102956385) is 1-[3-(3-methoxypiperidin-1-yl)propyl]pyrazol-3-amine.
What is the SMILES notation for 1-[3-(3-methoxypiperidin-1-yl)propyl]pyrazol-3-amine?
The canonical SMILES for 1-[3-(3-methoxypiperidin-1-yl)propyl]pyrazol-3-amine is COC1CCCN(CCCn2ccc(N)n2)C1.
What is the InChIKey of 1-[3-(3-methoxypiperidin-1-yl)propyl]pyrazol-3-amine?
The InChIKey is KQAHRWCZRPDOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-17-11-4-2-6-15(10-11)7-3-8-16-9-5-12(13)14-16/h5,9,11H,2-4,6-8,10H2,1H3,(H2,13,14).
What are the key properties of 1-[3-(3-methoxypiperidin-1-yl)propyl]pyrazol-3-amine?
1-[3-(3-methoxypiperidin-1-yl)propyl]pyrazol-3-amine has a molecular weight of 238.33 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-methoxypiperidin-1-yl)propyl]pyrazol-3-amine is sourced from PubChem (CID 102956385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).