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

C18H30N4 — CID 176918774

IUPAC1-methyl-4-[3-(2-methyl-2-pyridin-3-ylpyrrolidin-1-yl)propyl]piperazine
SMILESCN1CCN(CCCN2CCCC2(C)c2cccnc2)CC1
InChIInChI=1S/C18H30N4/c1-18(17-6-3-8-19-16-17)7-4-10-22(18)11-5-9-21-14-12-20(2)13-15-21/h3,6,8,16H,4-5,7,9-15H2,1-2H3
InChIKeyQGSPQRBSCAVNGM-UHFFFAOYSA-N
MW302.47 g/mol
LogP2.03
Rot. Bonds5

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

1-methyl-4-[3-(2-methyl-2-pyridin-3-ylpyrrolidin-1-yl)propyl]piperazine (PubChem CID 176918774) has the molecular formula C18H30N4 and a molecular weight of 302.47 g/mol. Its IUPAC name is 1-methyl-4-[3-(2-methyl-2-pyridin-3-ylpyrrolidin-1-yl)propyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[3-(2-methyl-2-pyridin-3-ylpyrrolidin-1-yl)propyl]piperazine
PubChem CID176918774
Molecular FormulaC18H30N4
Molecular Weight302.47 g/mol
Exact Mass302.25
IUPAC Name1-methyl-4-[3-(2-methyl-2-pyridin-3-ylpyrrolidin-1-yl)propyl]piperazine
SMILESCN1CCN(CCCN2CCCC2(C)c2cccnc2)CC1
InChIInChI=1S/C18H30N4/c1-18(17-6-3-8-19-16-17)7-4-10-22(18)11-5-9-21-14-12-20(2)13-15-21/h3,6,8,16H,4-5,7,9-15H2,1-2H3
InChIKeyQGSPQRBSCAVNGM-UHFFFAOYSA-N
XLogP2.03
TPSA22.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.47
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-ethyl-2-methylpyrrolidin-2-yl)pyridine
CID 176918775
1-methyl-4-[3-(2-pyridin-3-ylpyrrolidin-1-yl)propyl]piperazine
CID 15171669
1-methyl-4-pyridin-3-ylpiperidin-4-ol
CID 4172974
1-methyl-2-pyridin-3-ylpyrrolidine-2-carboxamide
CID 56964987
ethane;3-(1-methylcyclobutyl)pyridine
CID 142353863
(1-butyl-4-pyridin-3-ylpiperidin-4-yl) propanoate
CID 3048607
3-(3-pyrrolidin-1-ylpropyl)pyridine
CID 70096862
(1R)-N-[2-(4-methylpiperazin-1-yl)ethyl]-1-pyridin-3-ylethanamine
CID 82891931
4-phenyl-1-(3-pyridin-3-ylpropyl)piperidine-4-carbonitrile
CID 91831464
1-methyl-4-[3-[3-(pyridin-3-ylmethoxy)phenyl]propyl]piperazine
CID 170863930
3-[2-[(4-fluorophenyl)methyl]-1-methylpyrrolidin-2-yl]pyridine
CID 67821251
1-benzyl-2-pyridin-3-ylpyrrolidine-2-carbonitrile
CID 90115436

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[3-(2-methyl-2-pyridin-3-ylpyrrolidin-1-yl)propyl]piperazine?
The IUPAC name of 1-methyl-4-[3-(2-methyl-2-pyridin-3-ylpyrrolidin-1-yl)propyl]piperazine (CID 176918774) is 1-methyl-4-[3-(2-methyl-2-pyridin-3-ylpyrrolidin-1-yl)propyl]piperazine.
What is the SMILES notation for 1-methyl-4-[3-(2-methyl-2-pyridin-3-ylpyrrolidin-1-yl)propyl]piperazine?
The canonical SMILES for 1-methyl-4-[3-(2-methyl-2-pyridin-3-ylpyrrolidin-1-yl)propyl]piperazine is CN1CCN(CCCN2CCCC2(C)c2cccnc2)CC1.
What is the InChIKey of 1-methyl-4-[3-(2-methyl-2-pyridin-3-ylpyrrolidin-1-yl)propyl]piperazine?
The InChIKey is QGSPQRBSCAVNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4/c1-18(17-6-3-8-19-16-17)7-4-10-22(18)11-5-9-21-14-12-20(2)13-15-21/h3,6,8,16H,4-5,7,9-15H2,1-2H3.
What are the key properties of 1-methyl-4-[3-(2-methyl-2-pyridin-3-ylpyrrolidin-1-yl)propyl]piperazine?
1-methyl-4-[3-(2-methyl-2-pyridin-3-ylpyrrolidin-1-yl)propyl]piperazine has a molecular weight of 302.47 g/mol, XLogP of 2.03, 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-methyl-2-pyridin-3-ylpyrrolidin-1-yl)propyl]piperazine is sourced from PubChem (CID 176918774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).