1-(1,3-benzodioxol-5-yl)-N-methyl-N-(piperidin-2-ylmethyl)ethanamine

C16H24N2O2 — CID 106622998

IUPAC1-(1,3-benzodioxol-5-yl)-N-methyl-N-(piperidin-2-ylmethyl)ethanamine
SMILESCC(c1ccc2c(c1)OCO2)N(C)CC1CCCCN1
InChIInChI=1S/C16H24N2O2/c1-12(18(2)10-14-5-3-4-8-17-14)13-6-7-15-16(9-13)20-11-19-15/h6-7,9,12,14,17H,3-5,8,10-11H2,1-2H3
InChIKeyGQTTZLKJGUVKAK-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.55
Rot. Bonds4

About 1-(1,3-benzodioxol-5-yl)-N-methyl-N-(piperidin-2-ylmethyl)ethanamine

1-(1,3-benzodioxol-5-yl)-N-methyl-N-(piperidin-2-ylmethyl)ethanamine (PubChem CID 106622998) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-methyl-N-(piperidin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-N-methyl-N-(piperidin-2-ylmethyl)ethanamine
PubChem CID106622998
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-(1,3-benzodioxol-5-yl)-N-methyl-N-(piperidin-2-ylmethyl)ethanamine
SMILESCC(c1ccc2c(c1)OCO2)N(C)CC1CCCCN1
InChIInChI=1S/C16H24N2O2/c1-12(18(2)10-14-5-3-4-8-17-14)13-6-7-15-16(9-13)20-11-19-15/h6-7,9,12,14,17H,3-5,8,10-11H2,1-2H3
InChIKeyGQTTZLKJGUVKAK-UHFFFAOYSA-N
XLogP2.55
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-(piperidin-2-ylmethyl)ethanamine
CID 106622995
1-(1,3-benzodioxol-5-yl)-N,N-dimethyl-2-pyrrolidin-2-ylethanamine
CID 116906661
1-(3,4-dichlorophenyl)-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106602368
N-methyl-N-(piperidin-2-ylmethyl)-1-pyridin-4-ylethanamine
CID 106623108
3-[1-[methyl(piperidin-2-ylmethyl)amino]ethyl]benzonitrile
CID 106623014
1-(4-chlorophenyl)-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 62980654
1-(1,3-benzodioxol-5-yl)-N,N-dimethyl-1-pyrrolidin-2-ylmethanamine
CID 82296423
2-(1,3-benzodioxol-5-yl)-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 115208449
N-methyl-1-(1-methylpyrazol-4-yl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106602551
N-methyl-1-(3-methylpyrazin-2-yl)-N-(piperidin-2-ylmethyl)ethanamine
CID 114080441
1-(2-chlorophenyl)-N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine
CID 102819503
N,6-dimethyl-N-(pyrrolidin-2-ylmethyl)-1,3-benzodioxol-5-amine
CID 115208211

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-methyl-N-(piperidin-2-ylmethyl)ethanamine?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-methyl-N-(piperidin-2-ylmethyl)ethanamine (CID 106622998) is 1-(1,3-benzodioxol-5-yl)-N-methyl-N-(piperidin-2-ylmethyl)ethanamine.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-methyl-N-(piperidin-2-ylmethyl)ethanamine?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-methyl-N-(piperidin-2-ylmethyl)ethanamine is CC(c1ccc2c(c1)OCO2)N(C)CC1CCCCN1.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-methyl-N-(piperidin-2-ylmethyl)ethanamine?
The InChIKey is GQTTZLKJGUVKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12(18(2)10-14-5-3-4-8-17-14)13-6-7-15-16(9-13)20-11-19-15/h6-7,9,12,14,17H,3-5,8,10-11H2,1-2H3.
What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-methyl-N-(piperidin-2-ylmethyl)ethanamine?
1-(1,3-benzodioxol-5-yl)-N-methyl-N-(piperidin-2-ylmethyl)ethanamine has a molecular weight of 276.38 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-N-methyl-N-(piperidin-2-ylmethyl)ethanamine is sourced from PubChem (CID 106622998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).