1-methyl-4-[3-(2-pyridin-3-ylpyrrolidin-1-yl)propyl]piperazine

C17H28N4 — CID 15171669

IUPAC1-methyl-4-[3-(2-pyridin-3-ylpyrrolidin-1-yl)propyl]piperazine
SMILESCN1CCN(CCCN2CCCC2c2cccnc2)CC1
InChIInChI=1S/C17H28N4/c1-19-11-13-20(14-12-19)8-4-10-21-9-3-6-17(21)16-5-2-7-18-15-16/h2,5,7,15,17H,3-4,6,8-14H2,1H3
InChIKeyAIXDVEJJVOCJTO-UHFFFAOYSA-N
MW288.44 g/mol
LogP1.86
Rot. Bonds5

About 1-methyl-4-[3-(2-pyridin-3-ylpyrrolidin-1-yl)propyl]piperazine

1-methyl-4-[3-(2-pyridin-3-ylpyrrolidin-1-yl)propyl]piperazine (PubChem CID 15171669) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-methyl-4-[3-(2-pyridin-3-ylpyrrolidin-1-yl)propyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[3-(2-pyridin-3-ylpyrrolidin-1-yl)propyl]piperazine
PubChem CID15171669
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name1-methyl-4-[3-(2-pyridin-3-ylpyrrolidin-1-yl)propyl]piperazine
SMILESCN1CCN(CCCN2CCCC2c2cccnc2)CC1
InChIInChI=1S/C17H28N4/c1-19-11-13-20(14-12-19)8-4-10-21-9-3-6-17(21)16-5-2-7-18-15-16/h2,5,7,15,17H,3-4,6,8-14H2,1H3
InChIKeyAIXDVEJJVOCJTO-UHFFFAOYSA-N
XLogP1.86
TPSA22.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2R)-1-[2-[2-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]ethoxy]ethyl]pyrrolidin-2-yl]pyridine
CID 59533117
3-(1-pentylpiperidin-2-yl)pyridine;hydrochloride
CID 171315964
N-methyl-2-(2-pyridin-3-ylpyrrolidin-1-yl)ethanamine
CID 176918761
2,2-dimethyl-6-(2-pyridin-3-ylpyrrolidin-1-yl)hexan-1-amine
CID 106707925
3-[1-(2-phenylethyl)pyrrolidin-2-yl]pyridine
CID 91294184
hydron;bis(3-(1-methylpyrrolidin-2-yl)pyridine)
CID 158783488
3-(1-methyl(115N)azolidin-2-yl)pyridine
CID 11126596
3-(1-methylpyrrolidin-2-yl)pyridine;propane
CID 91386217
ethane;3-(1-methylpyrrolidin-2-yl)pyridine
CID 144528341
CID 159245541
CID 159245541
3-(1-methylpyrrolidin-2-yl)pyridine;zinc
CID 67468212
3-[(2S)-1-(2-azidoethyl)pyrrolidin-2-yl]pyridine
CID 129495697

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[3-(2-pyridin-3-ylpyrrolidin-1-yl)propyl]piperazine?
The IUPAC name of 1-methyl-4-[3-(2-pyridin-3-ylpyrrolidin-1-yl)propyl]piperazine (CID 15171669) is 1-methyl-4-[3-(2-pyridin-3-ylpyrrolidin-1-yl)propyl]piperazine.
What is the SMILES notation for 1-methyl-4-[3-(2-pyridin-3-ylpyrrolidin-1-yl)propyl]piperazine?
The canonical SMILES for 1-methyl-4-[3-(2-pyridin-3-ylpyrrolidin-1-yl)propyl]piperazine is CN1CCN(CCCN2CCCC2c2cccnc2)CC1.
What is the InChIKey of 1-methyl-4-[3-(2-pyridin-3-ylpyrrolidin-1-yl)propyl]piperazine?
The InChIKey is AIXDVEJJVOCJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-19-11-13-20(14-12-19)8-4-10-21-9-3-6-17(21)16-5-2-7-18-15-16/h2,5,7,15,17H,3-4,6,8-14H2,1H3.
What are the key properties of 1-methyl-4-[3-(2-pyridin-3-ylpyrrolidin-1-yl)propyl]piperazine?
1-methyl-4-[3-(2-pyridin-3-ylpyrrolidin-1-yl)propyl]piperazine has a molecular weight of 288.44 g/mol, XLogP of 1.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[3-(2-pyridin-3-ylpyrrolidin-1-yl)propyl]piperazine is sourced from PubChem (CID 15171669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).