2-methyl-4-[(3-propylpyrrolidin-1-yl)methyl]piperidine

C14H28N2 — CID 106741189

IUPAC2-methyl-4-[(3-propylpyrrolidin-1-yl)methyl]piperidine
SMILESCCCC1CCN(CC2CCNC(C)C2)C1
InChIInChI=1S/C14H28N2/c1-3-4-13-6-8-16(10-13)11-14-5-7-15-12(2)9-14/h12-15H,3-11H2,1-2H3
InChIKeyGEAQGLGBLZNJIF-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.50
Rot. Bonds4

About 2-methyl-4-[(3-propylpyrrolidin-1-yl)methyl]piperidine

2-methyl-4-[(3-propylpyrrolidin-1-yl)methyl]piperidine (PubChem CID 106741189) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 2-methyl-4-[(3-propylpyrrolidin-1-yl)methyl]piperidine.

Molecular Properties

Compound Name2-methyl-4-[(3-propylpyrrolidin-1-yl)methyl]piperidine
PubChem CID106741189
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name2-methyl-4-[(3-propylpyrrolidin-1-yl)methyl]piperidine
SMILESCCCC1CCN(CC2CCNC(C)C2)C1
InChIInChI=1S/C14H28N2/c1-3-4-13-6-8-16(10-13)11-14-5-7-15-12(2)9-14/h12-15H,3-11H2,1-2H3
InChIKeyGEAQGLGBLZNJIF-UHFFFAOYSA-N
XLogP2.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3,4-dimethylpyrrolidin-1-yl)methyl]-2-methylpiperidine
CID 106741132
1-(cyclobutylmethyl)-3-propylpyrrolidine;ethane
CID 169242088
2-ethyl-4-[(2-methylpiperidin-4-yl)methyl]thiomorpholine
CID 106741211
1-[(2-methylpiperidin-4-yl)methyl]-3-propoxypiperidine
CID 106740986
1-ethyl-3-propylpyrrolidine;hydrochloride
CID 175849509
1-[(3-methylpyrrolidin-2-yl)methyl]-4-propylpiperidine
CID 102775923
1-methylidene-4-[[(3S)-3-propylpyrrolidin-1-yl]methyl]piperidin-1-ium
CID 165137979
(2-methylpiperidin-4-yl)-(3-propylpyrrolidin-1-yl)methanone
CID 106740610
2-[(2-methylpiperidin-4-yl)methyl]-3,4-dihydro-1H-isoquinoline
CID 106740844
4-propyl-2-[(3-propylpyrrolidin-1-yl)methyl]cyclohexan-1-one
CID 113418812
1-[(1-ethylpiperidin-4-yl)methyl]-3-propyl-1,4-diazepane
CID 64949336
2-[1-(piperidin-4-ylmethyl)pyrrolidin-3-yl]ethanol
CID 115741583

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(3-propylpyrrolidin-1-yl)methyl]piperidine?
The IUPAC name of 2-methyl-4-[(3-propylpyrrolidin-1-yl)methyl]piperidine (CID 106741189) is 2-methyl-4-[(3-propylpyrrolidin-1-yl)methyl]piperidine.
What is the SMILES notation for 2-methyl-4-[(3-propylpyrrolidin-1-yl)methyl]piperidine?
The canonical SMILES for 2-methyl-4-[(3-propylpyrrolidin-1-yl)methyl]piperidine is CCCC1CCN(CC2CCNC(C)C2)C1.
What is the InChIKey of 2-methyl-4-[(3-propylpyrrolidin-1-yl)methyl]piperidine?
The InChIKey is GEAQGLGBLZNJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-3-4-13-6-8-16(10-13)11-14-5-7-15-12(2)9-14/h12-15H,3-11H2,1-2H3.
What are the key properties of 2-methyl-4-[(3-propylpyrrolidin-1-yl)methyl]piperidine?
2-methyl-4-[(3-propylpyrrolidin-1-yl)methyl]piperidine has a molecular weight of 224.39 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(3-propylpyrrolidin-1-yl)methyl]piperidine is sourced from PubChem (CID 106741189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).