1-[(3-methylpyrrolidin-3-yl)methyl]-3-pyrazol-1-ylpiperidine

C14H24N4 — CID 120899731

IUPAC1-[(3-methylpyrrolidin-3-yl)methyl]-3-pyrazol-1-ylpiperidine
SMILESCC1(CN2CCCC(n3cccn3)C2)CCNC1
InChIInChI=1S/C14H24N4/c1-14(5-7-15-11-14)12-17-8-2-4-13(10-17)18-9-3-6-16-18/h3,6,9,13,15H,2,4-5,7-8,10-12H2,1H3
InChIKeyNTLQRRIOFBYDOI-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.52
Rot. Bonds3

About 1-[(3-methylpyrrolidin-3-yl)methyl]-3-pyrazol-1-ylpiperidine

1-[(3-methylpyrrolidin-3-yl)methyl]-3-pyrazol-1-ylpiperidine (PubChem CID 120899731) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-[(3-methylpyrrolidin-3-yl)methyl]-3-pyrazol-1-ylpiperidine.

Molecular Properties

Compound Name1-[(3-methylpyrrolidin-3-yl)methyl]-3-pyrazol-1-ylpiperidine
PubChem CID120899731
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name1-[(3-methylpyrrolidin-3-yl)methyl]-3-pyrazol-1-ylpiperidine
SMILESCC1(CN2CCCC(n3cccn3)C2)CCNC1
InChIInChI=1S/C14H24N4/c1-14(5-7-15-11-14)12-17-8-2-4-13(10-17)18-9-3-6-16-18/h3,6,9,13,15H,2,4-5,7-8,10-12H2,1H3
InChIKeyNTLQRRIOFBYDOI-UHFFFAOYSA-N
XLogP1.52
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylpyrrolidin-3-yl)methyl]-3-pyrazol-1-ylpiperidine?
The IUPAC name of 1-[(3-methylpyrrolidin-3-yl)methyl]-3-pyrazol-1-ylpiperidine (CID 120899731) is 1-[(3-methylpyrrolidin-3-yl)methyl]-3-pyrazol-1-ylpiperidine.
What is the SMILES notation for 1-[(3-methylpyrrolidin-3-yl)methyl]-3-pyrazol-1-ylpiperidine?
The canonical SMILES for 1-[(3-methylpyrrolidin-3-yl)methyl]-3-pyrazol-1-ylpiperidine is CC1(CN2CCCC(n3cccn3)C2)CCNC1.
What is the InChIKey of 1-[(3-methylpyrrolidin-3-yl)methyl]-3-pyrazol-1-ylpiperidine?
The InChIKey is NTLQRRIOFBYDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-14(5-7-15-11-14)12-17-8-2-4-13(10-17)18-9-3-6-16-18/h3,6,9,13,15H,2,4-5,7-8,10-12H2,1H3.
What are the key properties of 1-[(3-methylpyrrolidin-3-yl)methyl]-3-pyrazol-1-ylpiperidine?
1-[(3-methylpyrrolidin-3-yl)methyl]-3-pyrazol-1-ylpiperidine has a molecular weight of 248.37 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylpyrrolidin-3-yl)methyl]-3-pyrazol-1-ylpiperidine is sourced from PubChem (CID 120899731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).