2-[4-(6-methyl-1,3-benzodioxol-5-yl)piperidin-1-yl]ethanamine

C15H22N2O2 — CID 116962880

IUPAC2-[4-(6-methyl-1,3-benzodioxol-5-yl)piperidin-1-yl]ethanamine
SMILESCc1cc2c(cc1C1CCN(CCN)CC1)OCO2
InChIInChI=1S/C15H22N2O2/c1-11-8-14-15(19-10-18-14)9-13(11)12-2-5-17(6-3-12)7-4-16/h8-9,12H,2-7,10,16H2,1H3
InChIKeyYYVVJQGIUUDBEG-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.86
Rot. Bonds3

About 2-[4-(6-methyl-1,3-benzodioxol-5-yl)piperidin-1-yl]ethanamine

2-[4-(6-methyl-1,3-benzodioxol-5-yl)piperidin-1-yl]ethanamine (PubChem CID 116962880) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-[4-(6-methyl-1,3-benzodioxol-5-yl)piperidin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(6-methyl-1,3-benzodioxol-5-yl)piperidin-1-yl]ethanamine
PubChem CID116962880
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-[4-(6-methyl-1,3-benzodioxol-5-yl)piperidin-1-yl]ethanamine
SMILESCc1cc2c(cc1C1CCN(CCN)CC1)OCO2
InChIInChI=1S/C15H22N2O2/c1-11-8-14-15(19-10-18-14)9-13(11)12-2-5-17(6-3-12)7-4-16/h8-9,12H,2-7,10,16H2,1H3
InChIKeyYYVVJQGIUUDBEG-UHFFFAOYSA-N
XLogP1.86
TPSA47.72 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 ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Methylenedioxyethamphetamine
CID 105039
1-Piperonylpiperazine
CID 94426
3,4-Mdpa
CID 559375
MDE hydrochloride
CID 3057998
N-methyl-1-(1,3-benzodioxol-5-yl)-2-butanamine
CID 124844
Homarylamine
CID 10776
5,6,7,8-Tetrahydro-1,3-dioxolo(4,5-g)isoquinoline
CID 27013
1,3-Pentadiene, 1-(3,4-methylenedioxybenzyl)-5-(piperidine-1-yl)-
CID 5370189
Hydrohydrastinine
CID 22301
3,4-Methylenedioxy-N-isopropylamphetamine
CID 3057996
3,4-Mdpa hydrochloride
CID 3057997
Piperazine, 1-methyl-4-(3,4-methylenedioxybenzyl)-
CID 763198

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-methyl-1,3-benzodioxol-5-yl)piperidin-1-yl]ethanamine?
The IUPAC name of 2-[4-(6-methyl-1,3-benzodioxol-5-yl)piperidin-1-yl]ethanamine (CID 116962880) is 2-[4-(6-methyl-1,3-benzodioxol-5-yl)piperidin-1-yl]ethanamine.
What is the SMILES notation for 2-[4-(6-methyl-1,3-benzodioxol-5-yl)piperidin-1-yl]ethanamine?
The canonical SMILES for 2-[4-(6-methyl-1,3-benzodioxol-5-yl)piperidin-1-yl]ethanamine is Cc1cc2c(cc1C1CCN(CCN)CC1)OCO2.
What is the InChIKey of 2-[4-(6-methyl-1,3-benzodioxol-5-yl)piperidin-1-yl]ethanamine?
The InChIKey is YYVVJQGIUUDBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11-8-14-15(19-10-18-14)9-13(11)12-2-5-17(6-3-12)7-4-16/h8-9,12H,2-7,10,16H2,1H3.
What are the key properties of 2-[4-(6-methyl-1,3-benzodioxol-5-yl)piperidin-1-yl]ethanamine?
2-[4-(6-methyl-1,3-benzodioxol-5-yl)piperidin-1-yl]ethanamine has a molecular weight of 262.35 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-methyl-1,3-benzodioxol-5-yl)piperidin-1-yl]ethanamine is sourced from PubChem (CID 116962880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).