4-[[2-(3-methoxypropyl)pyrazol-3-yl]methyl]piperidine

C13H23N3O — CID 114278042

IUPAC4-[[2-(3-methoxypropyl)pyrazol-3-yl]methyl]piperidine
SMILESCOCCCn1nccc1CC1CCNCC1
InChIInChI=1S/C13H23N3O/c1-17-10-2-9-16-13(5-8-15-16)11-12-3-6-14-7-4-12/h5,8,12,14H,2-4,6-7,9-11H2,1H3
InChIKeyLKZAVPXUXCDNOA-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.46
Rot. Bonds6

About 4-[[2-(3-methoxypropyl)pyrazol-3-yl]methyl]piperidine

4-[[2-(3-methoxypropyl)pyrazol-3-yl]methyl]piperidine (PubChem CID 114278042) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 4-[[2-(3-methoxypropyl)pyrazol-3-yl]methyl]piperidine.

Molecular Properties

Compound Name4-[[2-(3-methoxypropyl)pyrazol-3-yl]methyl]piperidine
PubChem CID114278042
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name4-[[2-(3-methoxypropyl)pyrazol-3-yl]methyl]piperidine
SMILESCOCCCn1nccc1CC1CCNCC1
InChIInChI=1S/C13H23N3O/c1-17-10-2-9-16-13(5-8-15-16)11-12-3-6-14-7-4-12/h5,8,12,14H,2-4,6-7,9-11H2,1H3
InChIKeyLKZAVPXUXCDNOA-UHFFFAOYSA-N
XLogP1.46
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-propyl-5-(pyrrolidin-3-ylmethyl)pyrazole
CID 114557866
[2-[3-(2-methoxyethoxy)propyl]pyrazol-3-yl]methanamine
CID 103413473
1-(cyclobutylmethyl)-5-(pyrrolidin-3-ylmethyl)pyrazole
CID 84685100
N-[(2-methylpyrazol-3-yl)methyl]-1-piperidin-4-ylmethanamine
CID 79707316
N-(piperidin-4-ylmethyl)-N-[(2-propylpyrazol-3-yl)methyl]propan-1-amine
CID 114556404
1-(3-methoxypropyl)-N-methyl-N-(piperidin-4-ylmethyl)imidazol-2-amine
CID 106553025
[2-(2-methoxyethyl)pyrazol-3-yl]methanol
CID 118157229
2-(3-methoxypropyl)-N,N-dipropylpyrazol-3-amine
CID 142163150
2-[2-(3-methoxypropyl)pyrazol-3-yl]-2-methylazepane
CID 114278021
N-[(2-ethylpyrazol-3-yl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine
CID 114556405
N-[[2-(3-ethoxypropyl)pyrazol-3-yl]methyl]cyclopropanamine
CID 65178386
2-[2-(3-methoxypropyl)pyrazol-3-yl]cycloheptan-1-one
CID 114278044

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3-methoxypropyl)pyrazol-3-yl]methyl]piperidine?
The IUPAC name of 4-[[2-(3-methoxypropyl)pyrazol-3-yl]methyl]piperidine (CID 114278042) is 4-[[2-(3-methoxypropyl)pyrazol-3-yl]methyl]piperidine.
What is the SMILES notation for 4-[[2-(3-methoxypropyl)pyrazol-3-yl]methyl]piperidine?
The canonical SMILES for 4-[[2-(3-methoxypropyl)pyrazol-3-yl]methyl]piperidine is COCCCn1nccc1CC1CCNCC1.
What is the InChIKey of 4-[[2-(3-methoxypropyl)pyrazol-3-yl]methyl]piperidine?
The InChIKey is LKZAVPXUXCDNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-17-10-2-9-16-13(5-8-15-16)11-12-3-6-14-7-4-12/h5,8,12,14H,2-4,6-7,9-11H2,1H3.
What are the key properties of 4-[[2-(3-methoxypropyl)pyrazol-3-yl]methyl]piperidine?
4-[[2-(3-methoxypropyl)pyrazol-3-yl]methyl]piperidine has a molecular weight of 237.35 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3-methoxypropyl)pyrazol-3-yl]methyl]piperidine is sourced from PubChem (CID 114278042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).