1-[2-(1,3-dimethylpyrrolidin-3-yl)ethyl]-4-methylpiperidine

C14H28N2 — CID 162741640

IUPAC1-[2-(1,3-dimethylpyrrolidin-3-yl)ethyl]-4-methylpiperidine
SMILESCC1CCN(CCC2(C)CCN(C)C2)CC1
InChIInChI=1S/C14H28N2/c1-13-4-8-16(9-5-13)11-7-14(2)6-10-15(3)12-14/h13H,4-12H2,1-3H3
InChIKeyCPEFAVXFPSUVHC-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.45
Rot. Bonds3

About 1-[2-(1,3-dimethylpyrrolidin-3-yl)ethyl]-4-methylpiperidine

1-[2-(1,3-dimethylpyrrolidin-3-yl)ethyl]-4-methylpiperidine (PubChem CID 162741640) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 1-[2-(1,3-dimethylpyrrolidin-3-yl)ethyl]-4-methylpiperidine.

Molecular Properties

Compound Name1-[2-(1,3-dimethylpyrrolidin-3-yl)ethyl]-4-methylpiperidine
PubChem CID162741640
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name1-[2-(1,3-dimethylpyrrolidin-3-yl)ethyl]-4-methylpiperidine
SMILESCC1CCN(CCC2(C)CCN(C)C2)CC1
InChIInChI=1S/C14H28N2/c1-13-4-8-16(9-5-13)11-7-14(2)6-10-15(3)12-14/h13H,4-12H2,1-3H3
InChIKeyCPEFAVXFPSUVHC-UHFFFAOYSA-N
XLogP2.45
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1,3-dimethylpyrrolidin-3-yl)-N-methylethanamine
CID 144987620
N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-1-(2-hydroxyethyl)-N-methylpiperidine-4-carboxamide
CID 134703499
1-[(1,4-dimethylpiperidin-4-yl)methyl]-5-methyl-1,4-diazepane
CID 107165073
3-butyl-1,3-dimethylpyrrolidine;ethane;2-methylpropane
CID 170577967
ethane;1-methyl-4-[(4-methylpiperidin-1-yl)methyl]piperidin-4-ol
CID 177319493
ethane;2-(4-methylpiperidin-1-yl)ethanamine
CID 143291209
1-[2-(3-methylpyrrolidin-1-yl)ethyl]cyclopropan-1-ol
CID 126995531
4-methyl-1-[2-(4-methylcyclohexyl)ethyl]piperidine
CID 129059218
2-(4-methylpiperidin-1-yl)ethanamine;propane
CID 142306647
1-(2-fluoroethyl)-4-methylpiperidine;propane
CID 177031790
[1-methyl-3-(4-methylazepan-1-yl)pyrrolidin-3-yl]methanamine
CID 63622763
6-[2-(4-methylpiperidin-1-yl)ethyl]-2-azaspiro[3.3]heptan-6-ol
CID 177010964

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,3-dimethylpyrrolidin-3-yl)ethyl]-4-methylpiperidine?
The IUPAC name of 1-[2-(1,3-dimethylpyrrolidin-3-yl)ethyl]-4-methylpiperidine (CID 162741640) is 1-[2-(1,3-dimethylpyrrolidin-3-yl)ethyl]-4-methylpiperidine.
What is the SMILES notation for 1-[2-(1,3-dimethylpyrrolidin-3-yl)ethyl]-4-methylpiperidine?
The canonical SMILES for 1-[2-(1,3-dimethylpyrrolidin-3-yl)ethyl]-4-methylpiperidine is CC1CCN(CCC2(C)CCN(C)C2)CC1.
What is the InChIKey of 1-[2-(1,3-dimethylpyrrolidin-3-yl)ethyl]-4-methylpiperidine?
The InChIKey is CPEFAVXFPSUVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-13-4-8-16(9-5-13)11-7-14(2)6-10-15(3)12-14/h13H,4-12H2,1-3H3.
What are the key properties of 1-[2-(1,3-dimethylpyrrolidin-3-yl)ethyl]-4-methylpiperidine?
1-[2-(1,3-dimethylpyrrolidin-3-yl)ethyl]-4-methylpiperidine has a molecular weight of 224.39 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,3-dimethylpyrrolidin-3-yl)ethyl]-4-methylpiperidine is sourced from PubChem (CID 162741640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).