1-(1,3-benzodioxol-5-yl)-N,2,3-trimethylpiperidin-4-amine

C15H22N2O2 — CID 79396771

IUPAC1-(1,3-benzodioxol-5-yl)-N,2,3-trimethylpiperidin-4-amine
SMILESCNC1CCN(c2ccc3c(c2)OCO3)C(C)C1C
InChIInChI=1S/C15H22N2O2/c1-10-11(2)17(7-6-13(10)16-3)12-4-5-14-15(8-12)19-9-18-14/h4-5,8,10-11,13,16H,6-7,9H2,1-3H3
InChIKeyHPXWISPTXZKJCN-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.24
Rot. Bonds2

About 1-(1,3-benzodioxol-5-yl)-N,2,3-trimethylpiperidin-4-amine

1-(1,3-benzodioxol-5-yl)-N,2,3-trimethylpiperidin-4-amine (PubChem CID 79396771) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N,2,3-trimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-N,2,3-trimethylpiperidin-4-amine
PubChem CID79396771
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-(1,3-benzodioxol-5-yl)-N,2,3-trimethylpiperidin-4-amine
SMILESCNC1CCN(c2ccc3c(c2)OCO3)C(C)C1C
InChIInChI=1S/C15H22N2O2/c1-10-11(2)17(7-6-13(10)16-3)12-4-5-14-15(8-12)19-9-18-14/h4-5,8,10-11,13,16H,6-7,9H2,1-3H3
InChIKeyHPXWISPTXZKJCN-UHFFFAOYSA-N
XLogP2.24
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N,2,3-trimethyl-1-naphthalen-2-ylpiperidin-4-amine
CID 79406565
methyl 1-(1,3-benzodioxol-5-yl)azetidine-2-carboxylate
CID 112581145
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpyrrolidine-3-carboxylic acid
CID 117022290
1-[2-(difluoromethylsulfanyl)phenyl]-N,2,3-trimethylpiperidin-4-amine
CID 79396526
2-[1-(1,3-benzodioxol-5-yl)pyrrolidin-2-yl]acetic acid
CID 82383161
1-(1,3-benzodioxol-5-yl)-3-methylpiperazine
CID 64924040
1,3-benzodioxol-5-yl-[3-ethyl-4-(methylamino)piperidin-1-yl]methanone
CID 114506350
1-(1,3-benzodioxol-5-yl)piperidine
CID 15712176
(3S)-1-(1,3-benzodioxol-5-yl)-3-(4-methylpiperidin-1-yl)pyrrolidine-2,5-dione
CID 27523171
1-(1,3-benzodioxol-5-yl)-3-methylpiperazin-2-one
CID 24716105
4-amino-1-(1,3-benzodioxol-5-yl)-5-methylpyrrolidin-2-one
CID 117022552
1-(4-bromo-3-methoxyphenyl)-N-ethyl-2,3-dimethylpiperidin-4-amine
CID 82868076

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N,2,3-trimethylpiperidin-4-amine?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N,2,3-trimethylpiperidin-4-amine (CID 79396771) is 1-(1,3-benzodioxol-5-yl)-N,2,3-trimethylpiperidin-4-amine.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N,2,3-trimethylpiperidin-4-amine?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N,2,3-trimethylpiperidin-4-amine is CNC1CCN(c2ccc3c(c2)OCO3)C(C)C1C.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N,2,3-trimethylpiperidin-4-amine?
The InChIKey is HPXWISPTXZKJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10-11(2)17(7-6-13(10)16-3)12-4-5-14-15(8-12)19-9-18-14/h4-5,8,10-11,13,16H,6-7,9H2,1-3H3.
What are the key properties of 1-(1,3-benzodioxol-5-yl)-N,2,3-trimethylpiperidin-4-amine?
1-(1,3-benzodioxol-5-yl)-N,2,3-trimethylpiperidin-4-amine has a molecular weight of 262.35 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-N,2,3-trimethylpiperidin-4-amine is sourced from PubChem (CID 79396771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).