N-methyl-N-(6-piperidin-1-ylhexyl)-1,3-benzodioxol-5-amine

C19H30N2O2 — CID 110452723

IUPACN-methyl-N-(6-piperidin-1-ylhexyl)-1,3-benzodioxol-5-amine
SMILESCN(CCCCCCN1CCCCC1)c1ccc2c(c1)OCO2
InChIInChI=1S/C19H30N2O2/c1-20(17-9-10-18-19(15-17)23-16-22-18)11-5-2-3-6-12-21-13-7-4-8-14-21/h9-10,15H,2-8,11-14,16H2,1H3
InChIKeyHRMHHYHCWKPQBS-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.90
Rot. Bonds8

About N-methyl-N-(6-piperidin-1-ylhexyl)-1,3-benzodioxol-5-amine

N-methyl-N-(6-piperidin-1-ylhexyl)-1,3-benzodioxol-5-amine (PubChem CID 110452723) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is N-methyl-N-(6-piperidin-1-ylhexyl)-1,3-benzodioxol-5-amine.

Molecular Properties

Compound NameN-methyl-N-(6-piperidin-1-ylhexyl)-1,3-benzodioxol-5-amine
PubChem CID110452723
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC NameN-methyl-N-(6-piperidin-1-ylhexyl)-1,3-benzodioxol-5-amine
SMILESCN(CCCCCCN1CCCCC1)c1ccc2c(c1)OCO2
InChIInChI=1S/C19H30N2O2/c1-20(17-9-10-18-19(15-17)23-16-22-18)11-5-2-3-6-12-21-13-7-4-8-14-21/h9-10,15H,2-8,11-14,16H2,1H3
InChIKeyHRMHHYHCWKPQBS-UHFFFAOYSA-N
XLogP3.90
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-(3-morpholin-4-ylpropyl)-1,3-benzodioxol-5-amine
CID 121230567
N-(3-bromopropyl)-N-methyl-1,3-benzodioxol-5-amine
CID 68690964
N-methyl-N-(2-piperidin-1-ylethyl)-1,3-benzodioxole-5-carboxamide
CID 110752384
2-[1,3-benzodioxol-5-yl(methyl)amino]ethanol
CID 82112129
N'-(1,3-benzodioxol-5-yl)-N,N'-dimethylethane-1,2-diamine
CID 82492500
1-[2-(1,3-benzodioxol-5-yl)ethyl]piperidine
CID 12816916
4-[methyl(3-pyrrolidin-1-ylpropyl)amino]benzenecarbothioamide
CID 62969664
1-[3-[4-(1,3-benzodioxol-5-yl)phenoxy]propyl]piperidine
CID 56657939
1-(1,3-benzodioxol-5-ylmethyl)azepane
CID 765340
1-(1,3-benzodioxol-5-yloxy)-2-(1,3-benzodioxol-5-yloxymethyl)-5-piperidin-1-ylpentan-2-ol
CID 3049012
4-(2-aminoethyl)-N,3-dimethyl-N-(2-pyrrolidin-1-ylethyl)aniline
CID 63784792
4-fluoro-N-methyl-N-(4-piperazin-1-ylbutyl)aniline
CID 115240347

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(6-piperidin-1-ylhexyl)-1,3-benzodioxol-5-amine?
The IUPAC name of N-methyl-N-(6-piperidin-1-ylhexyl)-1,3-benzodioxol-5-amine (CID 110452723) is N-methyl-N-(6-piperidin-1-ylhexyl)-1,3-benzodioxol-5-amine.
What is the SMILES notation for N-methyl-N-(6-piperidin-1-ylhexyl)-1,3-benzodioxol-5-amine?
The canonical SMILES for N-methyl-N-(6-piperidin-1-ylhexyl)-1,3-benzodioxol-5-amine is CN(CCCCCCN1CCCCC1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-methyl-N-(6-piperidin-1-ylhexyl)-1,3-benzodioxol-5-amine?
The InChIKey is HRMHHYHCWKPQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-20(17-9-10-18-19(15-17)23-16-22-18)11-5-2-3-6-12-21-13-7-4-8-14-21/h9-10,15H,2-8,11-14,16H2,1H3.
What are the key properties of N-methyl-N-(6-piperidin-1-ylhexyl)-1,3-benzodioxol-5-amine?
N-methyl-N-(6-piperidin-1-ylhexyl)-1,3-benzodioxol-5-amine has a molecular weight of 318.46 g/mol, XLogP of 3.90, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(6-piperidin-1-ylhexyl)-1,3-benzodioxol-5-amine is sourced from PubChem (CID 110452723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).