1,3-dimethyl-4-pyrrol-1-ylpiperidine

C11H18N2 — CID 114505789

IUPAC1,3-dimethyl-4-pyrrol-1-ylpiperidine
SMILESCC1CN(C)CCC1n1cccc1
InChIInChI=1S/C11H18N2/c1-10-9-12(2)8-5-11(10)13-6-3-4-7-13/h3-4,6-7,10-11H,5,8-9H2,1-2H3
InChIKeySEVBKBTVZOFZLZ-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.00
Rot. Bonds1

About 1,3-dimethyl-4-pyrrol-1-ylpiperidine

1,3-dimethyl-4-pyrrol-1-ylpiperidine (PubChem CID 114505789) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 1,3-dimethyl-4-pyrrol-1-ylpiperidine.

Molecular Properties

Compound Name1,3-dimethyl-4-pyrrol-1-ylpiperidine
PubChem CID114505789
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name1,3-dimethyl-4-pyrrol-1-ylpiperidine
SMILESCC1CN(C)CCC1n1cccc1
InChIInChI=1S/C11H18N2/c1-10-9-12(2)8-5-11(10)13-6-3-4-7-13/h3-4,6-7,10-11H,5,8-9H2,1-2H3
InChIKeySEVBKBTVZOFZLZ-UHFFFAOYSA-N
XLogP2.00
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,3-dimethyl-4-pyrrol-1-ylpiperidine 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-[(1R,2S)-2-methylcyclopentyl]pyrrole
CID 121227210
(3S,4R)-1,3,4-trimethylpiperidine
CID 14454424
1,3,4-trimethylpiperidine
CID 14454423
1-(1,3-dimethylpiperidin-4-yl)-4,6-dimethyl-1,5-diazocane
CID 114505869
ethane;1,3,4-trimethylpiperidine
CID 142222872
(3R,4R)-1,3-dimethylpiperidin-4-amine
CID 98186941
1-[(3R,4R)-1,3-dimethylpiperidin-4-yl]piperidine-4-carboxylic acid
CID 124525677
1-(1,3-dimethylpiperidin-4-yl)-3-phenylpiperazine
CID 114506163
1,3-dimethylpiperidin-4-amine;dihydrochloride
CID 53407082
1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-[(3R,4R)-1,3-dimethylpiperidin-4-yl]piperazine
CID 124864863
1-(1,3-dimethylpiperidin-4-yl)-6-methyl-1,4-diazepane
CID 114505872
1-(1,3-dimethylpiperidin-4-yl)pyrrolidine-2,4-dione
CID 114504190

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-pyrrol-1-ylpiperidine?
The IUPAC name of 1,3-dimethyl-4-pyrrol-1-ylpiperidine (CID 114505789) is 1,3-dimethyl-4-pyrrol-1-ylpiperidine.
What is the SMILES notation for 1,3-dimethyl-4-pyrrol-1-ylpiperidine?
The canonical SMILES for 1,3-dimethyl-4-pyrrol-1-ylpiperidine is CC1CN(C)CCC1n1cccc1.
What is the InChIKey of 1,3-dimethyl-4-pyrrol-1-ylpiperidine?
The InChIKey is SEVBKBTVZOFZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-10-9-12(2)8-5-11(10)13-6-3-4-7-13/h3-4,6-7,10-11H,5,8-9H2,1-2H3.
What are the key properties of 1,3-dimethyl-4-pyrrol-1-ylpiperidine?
1,3-dimethyl-4-pyrrol-1-ylpiperidine has a molecular weight of 178.28 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-pyrrol-1-ylpiperidine is sourced from PubChem (CID 114505789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).