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

C21H33N3 — CID 131904950

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-N-[(1,3-dimethylpyrrolidin-3-yl)methyl]piperidin-4-amine
SMILESCN1CCC(C)(CNC2CCN(c3ccc4c(c3)CCC4)CC2)C1
InChIInChI=1S/C21H33N3/c1-21(10-13-23(2)16-21)15-22-19-8-11-24(12-9-19)20-7-6-17-4-3-5-18(17)14-20/h6-7,14,19,22H,3-5,8-13,15-16H2,1-2H3
InChIKeyGGMWVZRXAWKXSF-UHFFFAOYSA-N
MW327.52 g/mol
LogP3.08
Rot. Bonds4

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

1-(2,3-dihydro-1H-inden-5-yl)-N-[(1,3-dimethylpyrrolidin-3-yl)methyl]piperidin-4-amine (PubChem CID 131904950) has the molecular formula C21H33N3 and a molecular weight of 327.52 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-N-[(1,3-dimethylpyrrolidin-3-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-N-[(1,3-dimethylpyrrolidin-3-yl)methyl]piperidin-4-amine
PubChem CID131904950
Molecular FormulaC21H33N3
Molecular Weight327.52 g/mol
Exact Mass327.27
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-N-[(1,3-dimethylpyrrolidin-3-yl)methyl]piperidin-4-amine
SMILESCN1CCC(C)(CNC2CCN(c3ccc4c(c3)CCC4)CC2)C1
InChIInChI=1S/C21H33N3/c1-21(10-13-23(2)16-21)15-22-19-8-11-24(12-9-19)20-7-6-17-4-3-5-18(17)14-20/h6-7,14,19,22H,3-5,8-13,15-16H2,1-2H3
InChIKeyGGMWVZRXAWKXSF-UHFFFAOYSA-N
XLogP3.08
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.52
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 2723782
Desethylaprindine
CID 162697
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CID 3232674
4-[2-[(dimethylamino)methyl]phenyl]-N-(3-piperidin-1-ylpropyl)aniline
CID 145988149
(5R)-2-(3-phenylphenyl)-2,9-diazaspiro[4.5]decane
CID 3232734
1-[[4-(dimethylamino)phenyl]methyl]-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidin-4-amine
CID 44591886
7-Pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinoline
CID 79679076
N,N-Dimethyl-N''-(2-methyl-biphenyl-4-yl)-propane-1,3-diamine
CID 44381036
N-cyclopentyl-1-(2-methylbiphenyl-3-yl)piperidin-4-amine
CID 132166446
2-Pyrrolidinemethanamine, 1-(3,4-dimethylphenyl)-, monohydrochloride, (+-)-
CID 3072430
2,3-Dihydro-N-(1-methylethyl)-1H-isoindol-5-amine
CID 66657110
N-[[4-(dimethylamino)phenyl]methyl]-1-propan-2-ylpiperidin-4-amine
CID 28716391

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-N-[(1,3-dimethylpyrrolidin-3-yl)methyl]piperidin-4-amine?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-N-[(1,3-dimethylpyrrolidin-3-yl)methyl]piperidin-4-amine (CID 131904950) is 1-(2,3-dihydro-1H-inden-5-yl)-N-[(1,3-dimethylpyrrolidin-3-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-N-[(1,3-dimethylpyrrolidin-3-yl)methyl]piperidin-4-amine?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-N-[(1,3-dimethylpyrrolidin-3-yl)methyl]piperidin-4-amine is CN1CCC(C)(CNC2CCN(c3ccc4c(c3)CCC4)CC2)C1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-N-[(1,3-dimethylpyrrolidin-3-yl)methyl]piperidin-4-amine?
The InChIKey is GGMWVZRXAWKXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3/c1-21(10-13-23(2)16-21)15-22-19-8-11-24(12-9-19)20-7-6-17-4-3-5-18(17)14-20/h6-7,14,19,22H,3-5,8-13,15-16H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-N-[(1,3-dimethylpyrrolidin-3-yl)methyl]piperidin-4-amine?
1-(2,3-dihydro-1H-inden-5-yl)-N-[(1,3-dimethylpyrrolidin-3-yl)methyl]piperidin-4-amine has a molecular weight of 327.52 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-N-[(1,3-dimethylpyrrolidin-3-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 131904950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).