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

C17H29N3O — CID 70750299

IUPAC1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-2-(3-methoxypropyl)piperidine
SMILESCOCCCC1CCCCN1Cc1cnn(C)c1C1CC1
InChIInChI=1S/C17H29N3O/c1-19-17(14-8-9-14)15(12-18-19)13-20-10-4-3-6-16(20)7-5-11-21-2/h12,14,16H,3-11,13H2,1-2H3
InChIKeyXFSMSUSAIUKRLZ-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.08
Rot. Bonds7

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

1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-2-(3-methoxypropyl)piperidine (PubChem CID 70750299) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-2-(3-methoxypropyl)piperidine.

Molecular Properties

Compound Name1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-2-(3-methoxypropyl)piperidine
PubChem CID70750299
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-2-(3-methoxypropyl)piperidine
SMILESCOCCCC1CCCCN1Cc1cnn(C)c1C1CC1
InChIInChI=1S/C17H29N3O/c1-19-17(14-8-9-14)15(12-18-19)13-20-10-4-3-6-16(20)7-5-11-21-2/h12,14,16H,3-11,13H2,1-2H3
InChIKeyXFSMSUSAIUKRLZ-UHFFFAOYSA-N
XLogP3.08
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-2-(3-methoxypropyl)piperidine?
The IUPAC name of 1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-2-(3-methoxypropyl)piperidine (CID 70750299) is 1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-2-(3-methoxypropyl)piperidine.
What is the SMILES notation for 1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-2-(3-methoxypropyl)piperidine?
The canonical SMILES for 1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-2-(3-methoxypropyl)piperidine is COCCCC1CCCCN1Cc1cnn(C)c1C1CC1.
What is the InChIKey of 1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-2-(3-methoxypropyl)piperidine?
The InChIKey is XFSMSUSAIUKRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-19-17(14-8-9-14)15(12-18-19)13-20-10-4-3-6-16(20)7-5-11-21-2/h12,14,16H,3-11,13H2,1-2H3.
What are the key properties of 1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-2-(3-methoxypropyl)piperidine?
1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-2-(3-methoxypropyl)piperidine has a molecular weight of 291.44 g/mol, XLogP of 3.08, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-2-(3-methoxypropyl)piperidine is sourced from PubChem (CID 70750299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).