N-(1,3-benzodioxol-4-ylmethyl)-2,6-dimethylpiperidin-1-amine

C15H22N2O2 — CID 83007219

IUPACN-(1,3-benzodioxol-4-ylmethyl)-2,6-dimethylpiperidin-1-amine
SMILESCC1CCCC(C)N1NCc1cccc2c1OCO2
InChIInChI=1S/C15H22N2O2/c1-11-5-3-6-12(2)17(11)16-9-13-7-4-8-14-15(13)19-10-18-14/h4,7-8,11-12,16H,3,5-6,9-10H2,1-2H3
InChIKeyMINAMDGJHKNBKV-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.68
Rot. Bonds3

About N-(1,3-benzodioxol-4-ylmethyl)-2,6-dimethylpiperidin-1-amine

N-(1,3-benzodioxol-4-ylmethyl)-2,6-dimethylpiperidin-1-amine (PubChem CID 83007219) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-(1,3-benzodioxol-4-ylmethyl)-2,6-dimethylpiperidin-1-amine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-4-ylmethyl)-2,6-dimethylpiperidin-1-amine
PubChem CID83007219
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-(1,3-benzodioxol-4-ylmethyl)-2,6-dimethylpiperidin-1-amine
SMILESCC1CCCC(C)N1NCc1cccc2c1OCO2
InChIInChI=1S/C15H22N2O2/c1-11-5-3-6-12(2)17(11)16-9-13-7-4-8-14-15(13)19-10-18-14/h4,7-8,11-12,16H,3,5-6,9-10H2,1-2H3
InChIKeyMINAMDGJHKNBKV-UHFFFAOYSA-N
XLogP2.68
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-4-ylmethyl)-2,6-dimethylcyclohexan-1-amine
CID 61212459
N-(1,3-benzodioxol-4-ylmethyl)-2-methylcyclohexan-1-amine
CID 43583510
N-(1,3-benzodioxol-4-ylmethyl)-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79357909
N-(1,3-benzodioxol-4-ylmethyl)-1-cyclopentylethanamine
CID 62634107
N-(1,3-benzodioxol-4-ylmethyl)-3-(4-methylpiperidin-1-yl)propan-1-amine
CID 43583711
N-(1,3-benzodioxol-4-ylmethyl)cyclopent-3-en-1-amine
CID 115696567
2,6-dimethyl-N-(quinolin-8-ylmethyl)piperidin-1-amine
CID 83007197
N-(1,3-benzodioxol-4-ylmethyl)oxan-3-amine
CID 63360334
N-[[4-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]phenyl]methyl]-2,6-dimethylpiperidin-1-amine
CID 24896833
N-(1,3-benzodioxol-4-ylmethyl)ethanesulfonamide
CID 47372906
N-(1-benzofuran-3-ylmethyl)-2,6-dimethylpiperidin-1-amine
CID 83009936
N-(1,3-benzodioxol-4-ylmethyl)oxolan-3-amine
CID 63335644

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-4-ylmethyl)-2,6-dimethylpiperidin-1-amine?
The IUPAC name of N-(1,3-benzodioxol-4-ylmethyl)-2,6-dimethylpiperidin-1-amine (CID 83007219) is N-(1,3-benzodioxol-4-ylmethyl)-2,6-dimethylpiperidin-1-amine.
What is the SMILES notation for N-(1,3-benzodioxol-4-ylmethyl)-2,6-dimethylpiperidin-1-amine?
The canonical SMILES for N-(1,3-benzodioxol-4-ylmethyl)-2,6-dimethylpiperidin-1-amine is CC1CCCC(C)N1NCc1cccc2c1OCO2.
What is the InChIKey of N-(1,3-benzodioxol-4-ylmethyl)-2,6-dimethylpiperidin-1-amine?
The InChIKey is MINAMDGJHKNBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11-5-3-6-12(2)17(11)16-9-13-7-4-8-14-15(13)19-10-18-14/h4,7-8,11-12,16H,3,5-6,9-10H2,1-2H3.
What are the key properties of N-(1,3-benzodioxol-4-ylmethyl)-2,6-dimethylpiperidin-1-amine?
N-(1,3-benzodioxol-4-ylmethyl)-2,6-dimethylpiperidin-1-amine has a molecular weight of 262.35 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-4-ylmethyl)-2,6-dimethylpiperidin-1-amine is sourced from PubChem (CID 83007219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).