1-[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]-N,N-dimethylpyrrolidin-3-amine;formic acid

C21H33N3O2 — CID 154914908

IUPAC1-[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]-N,N-dimethylpyrrolidin-3-amine;formic acid
SMILESCN(C)C1CCN(C2CCN(c3ccc4c(c3)CCC4)CC2)C1.O=CO
InChIInChI=1S/C20H31N3.CH2O2/c1-21(2)20-10-13-23(15-20)18-8-11-22(12-9-18)19-7-6-16-4-3-5-17(16)14-19;2-1-3/h6-7,14,18,20H,3-5,8-13,15H2,1-2H3;1H,(H,2,3)
InChIKeyDUOHXVDBDBSEEV-UHFFFAOYSA-N
MW359.51 g/mol
LogP2.48
Rot. Bonds3

About 1-[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]-N,N-dimethylpyrrolidin-3-amine;formic acid

1-[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]-N,N-dimethylpyrrolidin-3-amine;formic acid (PubChem CID 154914908) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is 1-[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]-N,N-dimethylpyrrolidin-3-amine;formic acid.

Molecular Properties

Compound Name1-[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]-N,N-dimethylpyrrolidin-3-amine;formic acid
PubChem CID154914908
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC Name1-[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]-N,N-dimethylpyrrolidin-3-amine;formic acid
SMILESCN(C)C1CCN(C2CCN(c3ccc4c(c3)CCC4)CC2)C1.O=CO
InChIInChI=1S/C20H31N3.CH2O2/c1-21(2)20-10-13-23(15-20)18-8-11-22(12-9-18)19-7-6-16-4-3-5-17(16)14-19;2-1-3/h6-7,14,18,20H,3-5,8-13,15H2,1-2H3;1H,(H,2,3)
InChIKeyDUOHXVDBDBSEEV-UHFFFAOYSA-N
XLogP2.48
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 1-[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]-N,N-dimethylpyrrolidin-3-amine;formic acid 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

2-{4-[1-(2,3-dihydro-1H-inden-5-yl)-4-piperidinyl]-1-isopropyl-2-piperazinyl}ethanol
CID 45232102
1-(2,3-dihydro-1H-inden-5-yl)-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]piperidin-4-amine
CID 164640936
2-[4-[1-(2,3-dihydro-1H-inden-5-yl)-4-piperidinyl]-1-(3-methylbutyl)-2-piperazinyl]ethanol
CID 45206280
5-(4-Methylpiperazin-1-yl)-1,3-dihydroisoindole-2-carboxylic acid
CID 70301963
N-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]-2,3-dihydro-1H-inden-5-amine
CID 70532579
6-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid
CID 71293891
Methyl 5-(4-methylpiperazin-1-yl)-1,3-dihydroisoindole-2-carboxylate
CID 89574758
4-[(2-Propan-2-yl-4-pyrrolidin-1-ylphenyl)methyl]piperazine-1-carboxylic acid
CID 89809915
4-[(2-Methyl-4-pyrrolidin-1-ylphenyl)methyl]piperazine-1-carboxylic acid
CID 89810292
4-[(2-Methyl-3-pyrrolidin-1-ylphenyl)methyl]piperazine-1-carboxylic acid
CID 89810400
tert-butyl-[(3S)-1-(2,3-dihydro-1H-inden-5-yl)-2-oxopyrrolidin-3-yl]carbamic acid
CID 91406667
5-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-1,3-dihydroisoindole-2-carboxylic acid
CID 91608062

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]-N,N-dimethylpyrrolidin-3-amine;formic acid?
The IUPAC name of 1-[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]-N,N-dimethylpyrrolidin-3-amine;formic acid (CID 154914908) is 1-[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]-N,N-dimethylpyrrolidin-3-amine;formic acid.
What is the SMILES notation for 1-[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]-N,N-dimethylpyrrolidin-3-amine;formic acid?
The canonical SMILES for 1-[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]-N,N-dimethylpyrrolidin-3-amine;formic acid is CN(C)C1CCN(C2CCN(c3ccc4c(c3)CCC4)CC2)C1.O=CO.
What is the InChIKey of 1-[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]-N,N-dimethylpyrrolidin-3-amine;formic acid?
The InChIKey is DUOHXVDBDBSEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3.CH2O2/c1-21(2)20-10-13-23(15-20)18-8-11-22(12-9-18)19-7-6-16-4-3-5-17(16)14-19;2-1-3/h6-7,14,18,20H,3-5,8-13,15H2,1-2H3;1H,(H,2,3).
What are the key properties of 1-[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]-N,N-dimethylpyrrolidin-3-amine;formic acid?
1-[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]-N,N-dimethylpyrrolidin-3-amine;formic acid has a molecular weight of 359.51 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]-N,N-dimethylpyrrolidin-3-amine;formic acid is sourced from PubChem (CID 154914908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).