1-[(3-methylpyrrolidin-2-yl)methyl]-4-propylpiperidine

C14H28N2 — CID 102775923

IUPAC1-[(3-methylpyrrolidin-2-yl)methyl]-4-propylpiperidine
SMILESCCCC1CCN(CC2NCCC2C)CC1
InChIInChI=1S/C14H28N2/c1-3-4-13-6-9-16(10-7-13)11-14-12(2)5-8-15-14/h12-15H,3-11H2,1-2H3
InChIKeyXUBYIEWRLAWKNE-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.50
Rot. Bonds4

About 1-[(3-methylpyrrolidin-2-yl)methyl]-4-propylpiperidine

1-[(3-methylpyrrolidin-2-yl)methyl]-4-propylpiperidine (PubChem CID 102775923) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 1-[(3-methylpyrrolidin-2-yl)methyl]-4-propylpiperidine.

Molecular Properties

Compound Name1-[(3-methylpyrrolidin-2-yl)methyl]-4-propylpiperidine
PubChem CID102775923
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name1-[(3-methylpyrrolidin-2-yl)methyl]-4-propylpiperidine
SMILESCCCC1CCN(CC2NCCC2C)CC1
InChIInChI=1S/C14H28N2/c1-3-4-13-6-9-16(10-7-13)11-14-12(2)5-8-15-14/h12-15H,3-11H2,1-2H3
InChIKeyXUBYIEWRLAWKNE-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

Analyze 1-[(3-methylpyrrolidin-2-yl)methyl]-4-propylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-4-[(3-methylpyrrolidin-2-yl)methyl]-1,4-diazepane
CID 102775567
N,N-dimethyl-1-[1-[(3-methylpiperidin-2-yl)methyl]piperidin-4-yl]methanamine
CID 107069105
2-[[4-(methoxymethyl)piperidin-1-yl]methyl]-3-methylpiperidine
CID 107069292
1-[(3-methylpyrrolidin-2-yl)methyl]-2,5-dihydropyrrole
CID 126996409
2-methyl-4-[(3-propylpyrrolidin-1-yl)methyl]piperidine
CID 106741189
2,6-dimethyl-4-[(3-methylpyrrolidin-2-yl)methyl]thiomorpholine
CID 102776044
1-(cyclohexylmethyl)-4-propylazepane
CID 70936958
2-[(3-methylpyrrolidin-2-yl)methyl]-2-azaspiro[4.5]decane
CID 114279344
1-[(3-ethylpyrrolidin-2-yl)methyl]piperidine
CID 3445538
1-[2-(3-methylpyrrolidin-2-yl)ethyl]piperidine
CID 5042776
1-piperidin-4-yl-4-propylpiperidine
CID 62199816
3-[(3-methylpiperidin-2-yl)methyl]-3-azabicyclo[3.1.0]hexane
CID 130964437

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylpyrrolidin-2-yl)methyl]-4-propylpiperidine?
The IUPAC name of 1-[(3-methylpyrrolidin-2-yl)methyl]-4-propylpiperidine (CID 102775923) is 1-[(3-methylpyrrolidin-2-yl)methyl]-4-propylpiperidine.
What is the SMILES notation for 1-[(3-methylpyrrolidin-2-yl)methyl]-4-propylpiperidine?
The canonical SMILES for 1-[(3-methylpyrrolidin-2-yl)methyl]-4-propylpiperidine is CCCC1CCN(CC2NCCC2C)CC1.
What is the InChIKey of 1-[(3-methylpyrrolidin-2-yl)methyl]-4-propylpiperidine?
The InChIKey is XUBYIEWRLAWKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-3-4-13-6-9-16(10-7-13)11-14-12(2)5-8-15-14/h12-15H,3-11H2,1-2H3.
What are the key properties of 1-[(3-methylpyrrolidin-2-yl)methyl]-4-propylpiperidine?
1-[(3-methylpyrrolidin-2-yl)methyl]-4-propylpiperidine 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 1-[(3-methylpyrrolidin-2-yl)methyl]-4-propylpiperidine is sourced from PubChem (CID 102775923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).