1-[(2-methylpyrrolidin-3-yl)methyl]-4-piperidin-1-ylpiperidine

C16H31N3 — CID 79384542

IUPAC1-[(2-methylpyrrolidin-3-yl)methyl]-4-piperidin-1-ylpiperidine
SMILESCC1NCCC1CN1CCC(N2CCCCC2)CC1
InChIInChI=1S/C16H31N3/c1-14-15(5-8-17-14)13-18-11-6-16(7-12-18)19-9-3-2-4-10-19/h14-17H,2-13H2,1H3
InChIKeyVKVSDOJUXAHWSE-UHFFFAOYSA-N
MW265.44 g/mol
LogP1.93
Rot. Bonds3

About 1-[(2-methylpyrrolidin-3-yl)methyl]-4-piperidin-1-ylpiperidine

1-[(2-methylpyrrolidin-3-yl)methyl]-4-piperidin-1-ylpiperidine (PubChem CID 79384542) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 1-[(2-methylpyrrolidin-3-yl)methyl]-4-piperidin-1-ylpiperidine.

Molecular Properties

Compound Name1-[(2-methylpyrrolidin-3-yl)methyl]-4-piperidin-1-ylpiperidine
PubChem CID79384542
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name1-[(2-methylpyrrolidin-3-yl)methyl]-4-piperidin-1-ylpiperidine
SMILESCC1NCCC1CN1CCC(N2CCCCC2)CC1
InChIInChI=1S/C16H31N3/c1-14-15(5-8-17-14)13-18-11-6-16(7-12-18)19-9-3-2-4-10-19/h14-17H,2-13H2,1H3
InChIKeyVKVSDOJUXAHWSE-UHFFFAOYSA-N
XLogP1.93
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(2-methylpyrrolidin-3-yl)methyl]-4-piperidin-1-ylpiperidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpyrrolidin-3-yl)methyl]-4-piperidin-1-ylpiperidine?
The IUPAC name of 1-[(2-methylpyrrolidin-3-yl)methyl]-4-piperidin-1-ylpiperidine (CID 79384542) is 1-[(2-methylpyrrolidin-3-yl)methyl]-4-piperidin-1-ylpiperidine.
What is the SMILES notation for 1-[(2-methylpyrrolidin-3-yl)methyl]-4-piperidin-1-ylpiperidine?
The canonical SMILES for 1-[(2-methylpyrrolidin-3-yl)methyl]-4-piperidin-1-ylpiperidine is CC1NCCC1CN1CCC(N2CCCCC2)CC1.
What is the InChIKey of 1-[(2-methylpyrrolidin-3-yl)methyl]-4-piperidin-1-ylpiperidine?
The InChIKey is VKVSDOJUXAHWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-14-15(5-8-17-14)13-18-11-6-16(7-12-18)19-9-3-2-4-10-19/h14-17H,2-13H2,1H3.
What are the key properties of 1-[(2-methylpyrrolidin-3-yl)methyl]-4-piperidin-1-ylpiperidine?
1-[(2-methylpyrrolidin-3-yl)methyl]-4-piperidin-1-ylpiperidine has a molecular weight of 265.44 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpyrrolidin-3-yl)methyl]-4-piperidin-1-ylpiperidine is sourced from PubChem (CID 79384542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).