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

C14H20N2O2 — CID 116935869

IUPAC(6-methyl-1,3-benzodioxol-5-yl)-piperidin-3-ylmethanamine
SMILESCc1cc2c(cc1C(N)C1CCCNC1)OCO2
InChIInChI=1S/C14H20N2O2/c1-9-5-12-13(18-8-17-12)6-11(9)14(15)10-3-2-4-16-7-10/h5-6,10,14,16H,2-4,7-8,15H2,1H3
InChIKeyJQHHCCIKWDTYBV-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.72
Rot. Bonds2

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

(6-methyl-1,3-benzodioxol-5-yl)-piperidin-3-ylmethanamine (PubChem CID 116935869) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (6-methyl-1,3-benzodioxol-5-yl)-piperidin-3-ylmethanamine.

Molecular Properties

Compound Name(6-methyl-1,3-benzodioxol-5-yl)-piperidin-3-ylmethanamine
PubChem CID116935869
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(6-methyl-1,3-benzodioxol-5-yl)-piperidin-3-ylmethanamine
SMILESCc1cc2c(cc1C(N)C1CCCNC1)OCO2
InChIInChI=1S/C14H20N2O2/c1-9-5-12-13(18-8-17-12)6-11(9)14(15)10-3-2-4-16-7-10/h5-6,10,14,16H,2-4,7-8,15H2,1H3
InChIKeyJQHHCCIKWDTYBV-UHFFFAOYSA-N
XLogP1.72
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(6-methyl-1,3-benzodioxol-5-yl)-piperidin-4-ylmethanamine
CID 116935914
N-methyl-1-(6-methyl-1,3-benzodioxol-5-yl)-1-piperidin-3-ylmethanamine
CID 116951313
(2,4-dimethylphenyl)-piperidin-3-ylmethanamine
CID 116935781
(2-methyl-5-propan-2-ylphenyl)-piperidin-3-ylmethanamine
CID 116935834
6-methyl-N-(1-piperidin-3-ylethyl)-1,3-benzodioxole-5-sulfonamide
CID 120874806
3-[(6-methyl-1,3-benzodioxol-5-yl)methyl]piperidine
CID 84796209
amino-(6-methyl-1,3-benzodioxol-5-yl)methanethiol
CID 116939551
3-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]piperidine
CID 116925655
N'-methyl-1-(6-methyl-1,3-benzodioxol-5-yl)methanediamine
CID 116939392
1-(6-methyl-1,3-benzodioxol-5-yl)propane-1,3-diamine
CID 116932852
1-(6-methyl-1,3-benzodioxol-5-yl)prop-2-en-1-amine
CID 83636881
(6-bromo-1,3-benzodioxol-5-yl)-cyclopropylmethanamine
CID 3979653

Frequently Asked Questions

What is the IUPAC name of (6-methyl-1,3-benzodioxol-5-yl)-piperidin-3-ylmethanamine?
The IUPAC name of (6-methyl-1,3-benzodioxol-5-yl)-piperidin-3-ylmethanamine (CID 116935869) is (6-methyl-1,3-benzodioxol-5-yl)-piperidin-3-ylmethanamine.
What is the SMILES notation for (6-methyl-1,3-benzodioxol-5-yl)-piperidin-3-ylmethanamine?
The canonical SMILES for (6-methyl-1,3-benzodioxol-5-yl)-piperidin-3-ylmethanamine is Cc1cc2c(cc1C(N)C1CCCNC1)OCO2.
What is the InChIKey of (6-methyl-1,3-benzodioxol-5-yl)-piperidin-3-ylmethanamine?
The InChIKey is JQHHCCIKWDTYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-9-5-12-13(18-8-17-12)6-11(9)14(15)10-3-2-4-16-7-10/h5-6,10,14,16H,2-4,7-8,15H2,1H3.
What are the key properties of (6-methyl-1,3-benzodioxol-5-yl)-piperidin-3-ylmethanamine?
(6-methyl-1,3-benzodioxol-5-yl)-piperidin-3-ylmethanamine has a molecular weight of 248.33 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-1,3-benzodioxol-5-yl)-piperidin-3-ylmethanamine is sourced from PubChem (CID 116935869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).