N-methyl-1-(6-methyl-1,3-benzodioxol-5-yl)-1-piperidin-3-ylmethanamine

C15H22N2O2 — CID 116951313

IUPACN-methyl-1-(6-methyl-1,3-benzodioxol-5-yl)-1-piperidin-3-ylmethanamine
SMILESCNC(c1cc2c(cc1C)OCO2)C1CCCNC1
InChIInChI=1S/C15H22N2O2/c1-10-6-13-14(19-9-18-13)7-12(10)15(16-2)11-4-3-5-17-8-11/h6-7,11,15-17H,3-5,8-9H2,1-2H3
InChIKeyQQIDJBBKAYDDOR-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.98
Rot. Bonds3

About N-methyl-1-(6-methyl-1,3-benzodioxol-5-yl)-1-piperidin-3-ylmethanamine

N-methyl-1-(6-methyl-1,3-benzodioxol-5-yl)-1-piperidin-3-ylmethanamine (PubChem CID 116951313) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-methyl-1-(6-methyl-1,3-benzodioxol-5-yl)-1-piperidin-3-ylmethanamine.

Molecular Properties

Compound NameN-methyl-1-(6-methyl-1,3-benzodioxol-5-yl)-1-piperidin-3-ylmethanamine
PubChem CID116951313
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-methyl-1-(6-methyl-1,3-benzodioxol-5-yl)-1-piperidin-3-ylmethanamine
SMILESCNC(c1cc2c(cc1C)OCO2)C1CCCNC1
InChIInChI=1S/C15H22N2O2/c1-10-6-13-14(19-9-18-13)7-12(10)15(16-2)11-4-3-5-17-8-11/h6-7,11,15-17H,3-5,8-9H2,1-2H3
InChIKeyQQIDJBBKAYDDOR-UHFFFAOYSA-N
XLogP1.98
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(6-methyl-1,3-benzodioxol-5-yl)-piperidin-3-ylmethanamine
CID 116935869
1-(2-methoxy-4,5-dimethylphenyl)-N-methyl-1-piperidin-3-ylmethanamine
CID 116951266
1-(2-methoxy-3,5-dimethylphenyl)-N-methyl-1-piperidin-3-ylmethanamine
CID 116951284
6-methyl-N-(1-piperidin-3-ylethyl)-1,3-benzodioxole-5-sulfonamide
CID 120874806
1-(2,4-difluorophenyl)-N-methyl-1-piperidin-3-ylmethanamine
CID 116951278
(6-methyl-1,3-benzodioxol-5-yl)-piperidin-4-ylmethanamine
CID 116935914
3-[(6-methyl-1,3-benzodioxol-5-yl)methyl]piperidine
CID 84796209
N'-methyl-1-(6-methyl-1,3-benzodioxol-5-yl)methanediamine
CID 116939392
2-(1,3-benzodioxol-5-yl)-N-methyl-1-pyrrolidin-3-ylethanamine
CID 68690965
3-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]piperidine
CID 116925655
N-(1-piperidin-3-ylethyl)-1,3-benzodioxole-5-carboxamide;hydrochloride
CID 119474135
1-(azetidin-3-yl)-1-(2,5-dimethylphenyl)-N-methylmethanamine
CID 116950709

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(6-methyl-1,3-benzodioxol-5-yl)-1-piperidin-3-ylmethanamine?
The IUPAC name of N-methyl-1-(6-methyl-1,3-benzodioxol-5-yl)-1-piperidin-3-ylmethanamine (CID 116951313) is N-methyl-1-(6-methyl-1,3-benzodioxol-5-yl)-1-piperidin-3-ylmethanamine.
What is the SMILES notation for N-methyl-1-(6-methyl-1,3-benzodioxol-5-yl)-1-piperidin-3-ylmethanamine?
The canonical SMILES for N-methyl-1-(6-methyl-1,3-benzodioxol-5-yl)-1-piperidin-3-ylmethanamine is CNC(c1cc2c(cc1C)OCO2)C1CCCNC1.
What is the InChIKey of N-methyl-1-(6-methyl-1,3-benzodioxol-5-yl)-1-piperidin-3-ylmethanamine?
The InChIKey is QQIDJBBKAYDDOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10-6-13-14(19-9-18-13)7-12(10)15(16-2)11-4-3-5-17-8-11/h6-7,11,15-17H,3-5,8-9H2,1-2H3.
What are the key properties of N-methyl-1-(6-methyl-1,3-benzodioxol-5-yl)-1-piperidin-3-ylmethanamine?
N-methyl-1-(6-methyl-1,3-benzodioxol-5-yl)-1-piperidin-3-ylmethanamine has a molecular weight of 262.35 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(6-methyl-1,3-benzodioxol-5-yl)-1-piperidin-3-ylmethanamine is sourced from PubChem (CID 116951313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).