1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-amine

C12H22N4O — CID 113463461

IUPAC1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-amine
SMILESCOc1c(CN2CCCC(N)C2)c(C)nn1C
InChIInChI=1S/C12H22N4O/c1-9-11(12(17-3)15(2)14-9)8-16-6-4-5-10(13)7-16/h10H,4-8,13H2,1-3H3
InChIKeyFCEVZBCBMWQTNR-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.66
Rot. Bonds3

About 1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-amine

1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-amine (PubChem CID 113463461) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-amine.

Molecular Properties

Compound Name1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-amine
PubChem CID113463461
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-amine
SMILESCOc1c(CN2CCCC(N)C2)c(C)nn1C
InChIInChI=1S/C12H22N4O/c1-9-11(12(17-3)15(2)14-9)8-16-6-4-5-10(13)7-16/h10H,4-8,13H2,1-3H3
InChIKeyFCEVZBCBMWQTNR-UHFFFAOYSA-N
XLogP0.66
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-(2-methyl-1,3-dioxolan-2-yl)piperidine
CID 86788978
1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120781727
[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-3-yl]methanamine
CID 19623272
1-[(5-amino-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-ol
CID 62207914
1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678165
(3R)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-3-ol
CID 129488572
(2S)-2-(1,3-dioxolan-2-yl)-1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperidine
CID 97158804
ethyl (3S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxylate
CID 42574885
ethyl 1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxylate
CID 25247693
1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine
CID 95850115
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-piperidin-1-ylethanamine
CID 115600691
[(3R,4R)-1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120769189

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-amine?
The IUPAC name of 1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-amine (CID 113463461) is 1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-amine.
What is the SMILES notation for 1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-amine?
The canonical SMILES for 1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-amine is COc1c(CN2CCCC(N)C2)c(C)nn1C.
What is the InChIKey of 1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-amine?
The InChIKey is FCEVZBCBMWQTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-9-11(12(17-3)15(2)14-9)8-16-6-4-5-10(13)7-16/h10H,4-8,13H2,1-3H3.
What are the key properties of 1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-amine?
1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-amine has a molecular weight of 238.33 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-amine is sourced from PubChem (CID 113463461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).