1-methyl-3-[2-(3-methylpyrrolidin-1-yl)ethyl]piperidine

C13H26N2 — CID 91419718

IUPAC1-methyl-3-[2-(3-methylpyrrolidin-1-yl)ethyl]piperidine
SMILESCC1CCN(CCC2CCCN(C)C2)C1
InChIInChI=1S/C13H26N2/c1-12-5-8-15(10-12)9-6-13-4-3-7-14(2)11-13/h12-13H,3-11H2,1-2H3
InChIKeyMXFLXSMKQOFDCX-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.06
Rot. Bonds3

About 1-methyl-3-[2-(3-methylpyrrolidin-1-yl)ethyl]piperidine

1-methyl-3-[2-(3-methylpyrrolidin-1-yl)ethyl]piperidine (PubChem CID 91419718) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 1-methyl-3-[2-(3-methylpyrrolidin-1-yl)ethyl]piperidine.

Molecular Properties

Compound Name1-methyl-3-[2-(3-methylpyrrolidin-1-yl)ethyl]piperidine
PubChem CID91419718
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name1-methyl-3-[2-(3-methylpyrrolidin-1-yl)ethyl]piperidine
SMILESCC1CCN(CCC2CCCN(C)C2)C1
InChIInChI=1S/C13H26N2/c1-12-5-8-15(10-12)9-6-13-4-3-7-14(2)11-13/h12-13H,3-11H2,1-2H3
InChIKeyMXFLXSMKQOFDCX-UHFFFAOYSA-N
XLogP2.06
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 637971
1-[2-(3-methylpyrrolidin-1-yl)ethyl]piperidin-4-amine
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2-(3-methylpyrrolidin-1-yl)ethanol
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3-(1-methylpiperidin-3-yl)propanal
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3-butyl-1-methylpiperidine;hydrofluoride
CID 175875067
3-but-3-enyl-1-methylpiperidine
CID 55275631
(3R)-1-methyl-3-pentylpiperidine
CID 143571155
methylcyclohexane;1-methyl-3-pentylpiperidine
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1-methyl-3-(pyrrolidin-1-ylmethyl)piperidine
CID 19028453

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-(3-methylpyrrolidin-1-yl)ethyl]piperidine?
The IUPAC name of 1-methyl-3-[2-(3-methylpyrrolidin-1-yl)ethyl]piperidine (CID 91419718) is 1-methyl-3-[2-(3-methylpyrrolidin-1-yl)ethyl]piperidine.
What is the SMILES notation for 1-methyl-3-[2-(3-methylpyrrolidin-1-yl)ethyl]piperidine?
The canonical SMILES for 1-methyl-3-[2-(3-methylpyrrolidin-1-yl)ethyl]piperidine is CC1CCN(CCC2CCCN(C)C2)C1.
What is the InChIKey of 1-methyl-3-[2-(3-methylpyrrolidin-1-yl)ethyl]piperidine?
The InChIKey is MXFLXSMKQOFDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-12-5-8-15(10-12)9-6-13-4-3-7-14(2)11-13/h12-13H,3-11H2,1-2H3.
What are the key properties of 1-methyl-3-[2-(3-methylpyrrolidin-1-yl)ethyl]piperidine?
1-methyl-3-[2-(3-methylpyrrolidin-1-yl)ethyl]piperidine has a molecular weight of 210.36 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-(3-methylpyrrolidin-1-yl)ethyl]piperidine is sourced from PubChem (CID 91419718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).