3,5-dimethyl-1-(1-methylpyrrolidin-3-yl)piperidine;heptane

C19H40N2 — CID 143377671

IUPAC3,5-dimethyl-1-(1-methylpyrrolidin-3-yl)piperidine;heptane
SMILESCC1CC(C)CN(C2CCN(C)C2)C1.CCCCCCC
InChIInChI=1S/C12H24N2.C7H16/c1-10-6-11(2)8-14(7-10)12-4-5-13(3)9-12;1-3-5-7-6-4-2/h10-12H,4-9H2,1-3H3;3-7H2,1-2H3
InChIKeyOAJXZLMZRFXSNV-UHFFFAOYSA-N
MW296.54 g/mol
LogP4.65
Rot. Bonds5

About 3,5-dimethyl-1-(1-methylpyrrolidin-3-yl)piperidine;heptane

3,5-dimethyl-1-(1-methylpyrrolidin-3-yl)piperidine;heptane (PubChem CID 143377671) has the molecular formula C19H40N2 and a molecular weight of 296.54 g/mol. Its IUPAC name is 3,5-dimethyl-1-(1-methylpyrrolidin-3-yl)piperidine;heptane.

Molecular Properties

Compound Name3,5-dimethyl-1-(1-methylpyrrolidin-3-yl)piperidine;heptane
PubChem CID143377671
Molecular FormulaC19H40N2
Molecular Weight296.54 g/mol
Exact Mass296.32
IUPAC Name3,5-dimethyl-1-(1-methylpyrrolidin-3-yl)piperidine;heptane
SMILESCC1CC(C)CN(C2CCN(C)C2)C1.CCCCCCC
InChIInChI=1S/C12H24N2.C7H16/c1-10-6-11(2)8-14(7-10)12-4-5-13(3)9-12;1-3-5-7-6-4-2/h10-12H,4-9H2,1-3H3;3-7H2,1-2H3
InChIKeyOAJXZLMZRFXSNV-UHFFFAOYSA-N
XLogP4.65
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.54
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3,5-dimethyl-1-(1-methylpyrrolidin-3-yl)piperidine;heptane 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-3-(1-methyl-pyrrolidin-2-yl)-piperidine
CID 44335229
3-(1-Methyl-pyrrolidin-2-yl)-1-octyl-piperidine
CID 44335442
4-[3,3-Difluoro-4-(2-methylbutyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine
CID 154671076
4-Ethyl-4-fluoro-1-[4-(1-propan-2-ylpyrrolidin-3-yl)pentan-2-yl]piperidine
CID 169664879
1'-Ethyl-3-(1-pyrrolidinylmethyl)-1,4'-bipiperidine
CID 45929901
N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-3-methyl-N-(3-methylbutyl)butan-1-amine
CID 15030046
3,5-Dimethyl-1-(1-propan-2-ylpyrrolidin-3-yl)piperidine
CID 20785242
1,6-dimethyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine
CID 22958383
1,2,2-Triethyl-3-pyrrolidin-1-ylpiperidine
CID 24748179
2-Butyl-1,2-diethyl-3-pyrrolidin-1-ylpiperidine
CID 24748229
1,2-Dimethyl-4-(2-methylpentyl)piperazine;ethane
CID 53631560
(4aS,7aR)-1,6-dimethyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine
CID 53851094

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-(1-methylpyrrolidin-3-yl)piperidine;heptane?
The IUPAC name of 3,5-dimethyl-1-(1-methylpyrrolidin-3-yl)piperidine;heptane (CID 143377671) is 3,5-dimethyl-1-(1-methylpyrrolidin-3-yl)piperidine;heptane.
What is the SMILES notation for 3,5-dimethyl-1-(1-methylpyrrolidin-3-yl)piperidine;heptane?
The canonical SMILES for 3,5-dimethyl-1-(1-methylpyrrolidin-3-yl)piperidine;heptane is CC1CC(C)CN(C2CCN(C)C2)C1.CCCCCCC.
What is the InChIKey of 3,5-dimethyl-1-(1-methylpyrrolidin-3-yl)piperidine;heptane?
The InChIKey is OAJXZLMZRFXSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2.C7H16/c1-10-6-11(2)8-14(7-10)12-4-5-13(3)9-12;1-3-5-7-6-4-2/h10-12H,4-9H2,1-3H3;3-7H2,1-2H3.
What are the key properties of 3,5-dimethyl-1-(1-methylpyrrolidin-3-yl)piperidine;heptane?
3,5-dimethyl-1-(1-methylpyrrolidin-3-yl)piperidine;heptane has a molecular weight of 296.54 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-(1-methylpyrrolidin-3-yl)piperidine;heptane is sourced from PubChem (CID 143377671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).