[6-(1,3-benzodioxol-4-yl)piperidin-3-yl]methanamine

C13H18N2O2 — CID 82389708

IUPAC[6-(1,3-benzodioxol-4-yl)piperidin-3-yl]methanamine
SMILESNCC1CCC(c2cccc3c2OCO3)NC1
InChIInChI=1S/C13H18N2O2/c14-6-9-4-5-11(15-7-9)10-2-1-3-12-13(10)17-8-16-12/h1-3,9,11,15H,4-8,14H2
InChIKeyXCJNARQZSBBIIY-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.41
Rot. Bonds2

About [6-(1,3-benzodioxol-4-yl)piperidin-3-yl]methanamine

[6-(1,3-benzodioxol-4-yl)piperidin-3-yl]methanamine (PubChem CID 82389708) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is [6-(1,3-benzodioxol-4-yl)piperidin-3-yl]methanamine.

Molecular Properties

Compound Name[6-(1,3-benzodioxol-4-yl)piperidin-3-yl]methanamine
PubChem CID82389708
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name[6-(1,3-benzodioxol-4-yl)piperidin-3-yl]methanamine
SMILESNCC1CCC(c2cccc3c2OCO3)NC1
InChIInChI=1S/C13H18N2O2/c14-6-9-4-5-11(15-7-9)10-2-1-3-12-13(10)17-8-16-12/h1-3,9,11,15H,4-8,14H2
InChIKeyXCJNARQZSBBIIY-UHFFFAOYSA-N
XLogP1.41
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(1,3-benzodioxol-4-yl)piperidine;hydrochloride
CID 171195463
(2S)-2-(1,3-benzodioxol-4-yl)piperazine
CID 171193726
(3R)-3-(1,3-benzodioxol-4-yl)morpholine;hydrochloride
CID 171192633
(2R)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)azetidine;hydrochloride
CID 171197468
(2R)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine
CID 51716217
[6-(4-bromophenyl)piperidin-3-yl]methanamine
CID 82379402
N-(cyclobutylmethyl)-1,3-benzodioxol-4-amine
CID 164539583
(6-imidazo[1,2-a]pyridin-3-ylpiperidin-3-yl)methanamine
CID 82390841
N-(1,3-benzodioxol-4-ylmethyl)-1-(4-ethylcyclohexyl)methanamine
CID 63451647
N'-(1,3-benzodioxol-4-ylmethyl)ethane-1,2-diamine
CID 60888930
5-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine-3-carboxylic acid
CID 82623130
5-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-methyl-1,4-diazepane
CID 82623051

Frequently Asked Questions

What is the IUPAC name of [6-(1,3-benzodioxol-4-yl)piperidin-3-yl]methanamine?
The IUPAC name of [6-(1,3-benzodioxol-4-yl)piperidin-3-yl]methanamine (CID 82389708) is [6-(1,3-benzodioxol-4-yl)piperidin-3-yl]methanamine.
What is the SMILES notation for [6-(1,3-benzodioxol-4-yl)piperidin-3-yl]methanamine?
The canonical SMILES for [6-(1,3-benzodioxol-4-yl)piperidin-3-yl]methanamine is NCC1CCC(c2cccc3c2OCO3)NC1.
What is the InChIKey of [6-(1,3-benzodioxol-4-yl)piperidin-3-yl]methanamine?
The InChIKey is XCJNARQZSBBIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c14-6-9-4-5-11(15-7-9)10-2-1-3-12-13(10)17-8-16-12/h1-3,9,11,15H,4-8,14H2.
What are the key properties of [6-(1,3-benzodioxol-4-yl)piperidin-3-yl]methanamine?
[6-(1,3-benzodioxol-4-yl)piperidin-3-yl]methanamine has a molecular weight of 234.30 g/mol, XLogP of 1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1,3-benzodioxol-4-yl)piperidin-3-yl]methanamine is sourced from PubChem (CID 82389708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).