2-(3-methoxypropyl)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine

C17H31N3O — CID 70787817

IUPAC2-(3-methoxypropyl)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine
SMILESCCCn1ncc(CN2CCCCC2CCCOC)c1C
InChIInChI=1S/C17H31N3O/c1-4-10-20-15(2)16(13-18-20)14-19-11-6-5-8-17(19)9-7-12-21-3/h13,17H,4-12,14H2,1-3H3
InChIKeyNRDOTYMERRYNNO-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.38
Rot. Bonds8

About 2-(3-methoxypropyl)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine

2-(3-methoxypropyl)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine (PubChem CID 70787817) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is 2-(3-methoxypropyl)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine.

Molecular Properties

Compound Name2-(3-methoxypropyl)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine
PubChem CID70787817
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC Name2-(3-methoxypropyl)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine
SMILESCCCn1ncc(CN2CCCCC2CCCOC)c1C
InChIInChI=1S/C17H31N3O/c1-4-10-20-15(2)16(13-18-20)14-19-11-6-5-8-17(19)9-7-12-21-3/h13,17H,4-12,14H2,1-3H3
InChIKeyNRDOTYMERRYNNO-UHFFFAOYSA-N
XLogP3.38
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(3-methoxypropyl)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(tetrahydro-2H-pyran-2-ylmethyl)piperidin-4-yl]methanol
CID 16188389
1-[(5-cyclopropyl-1-methyl-1H-pyrazol-4-yl)methyl]-2-(3-methoxypropyl)piperidine
CID 70750299
1-[1-[(1,5-Dimethylpyrazol-4-yl)methyl]piperidin-4-yl]ethanol
CID 53193291
7-[(1-Ethyl-5-methylpyrazol-4-yl)methyl]-3-methoxy-7-azaspiro[3.5]nonane
CID 110197982
8-[(3-Methyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-oxa-8-azaspiro[5.5]undecane-7-carbonitrile
CID 121547814
(3R)-3-(2-methoxyethyl)-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]azepane
CID 124889704
(3S,4S)-4-(4,5-dimethylpyrazol-1-yl)-3-fluoro-1-(oxetan-3-yl)piperidine
CID 163579985
4-(4,5-Dimethylpyrazol-1-yl)-3-fluoro-1-(oxetan-3-yl)piperidine
CID 163579986
[6-Methyl-1-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]piperidin-2-yl]methanol
CID 109832562
1-[1-[[1-Methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]piperidin-2-yl]ethanol
CID 112229230
[(2R)-1-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]piperidin-2-yl]methanol
CID 112413877
2-{1-cyclohexyl-4-[(3-methyl-1-propyl-1H-pyrazol-4-yl)methyl]-2-piperazinyl}ethanol
CID 45168042

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropyl)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine?
The IUPAC name of 2-(3-methoxypropyl)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine (CID 70787817) is 2-(3-methoxypropyl)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine.
What is the SMILES notation for 2-(3-methoxypropyl)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine?
The canonical SMILES for 2-(3-methoxypropyl)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine is CCCn1ncc(CN2CCCCC2CCCOC)c1C.
What is the InChIKey of 2-(3-methoxypropyl)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine?
The InChIKey is NRDOTYMERRYNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-4-10-20-15(2)16(13-18-20)14-19-11-6-5-8-17(19)9-7-12-21-3/h13,17H,4-12,14H2,1-3H3.
What are the key properties of 2-(3-methoxypropyl)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine?
2-(3-methoxypropyl)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine has a molecular weight of 293.45 g/mol, XLogP of 3.38, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropyl)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine is sourced from PubChem (CID 70787817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).