1-(1,3-benzodioxol-5-yl)-N-benzylpiperidin-3-amine

C19H22N2O2 — CID 83993803

IUPAC1-(1,3-benzodioxol-5-yl)-N-benzylpiperidin-3-amine
SMILESc1ccc(CNC2CCCN(c3ccc4c(c3)OCO4)C2)cc1
InChIInChI=1S/C19H22N2O2/c1-2-5-15(6-3-1)12-20-16-7-4-10-21(13-16)17-8-9-18-19(11-17)23-14-22-18/h1-3,5-6,8-9,11,16,20H,4,7,10,12-14H2
InChIKeyDRGPAVWIQFPXSY-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.17
Rot. Bonds4

About 1-(1,3-benzodioxol-5-yl)-N-benzylpiperidin-3-amine

1-(1,3-benzodioxol-5-yl)-N-benzylpiperidin-3-amine (PubChem CID 83993803) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-benzylpiperidin-3-amine.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-N-benzylpiperidin-3-amine
PubChem CID83993803
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name1-(1,3-benzodioxol-5-yl)-N-benzylpiperidin-3-amine
SMILESc1ccc(CNC2CCCN(c3ccc4c(c3)OCO4)C2)cc1
InChIInChI=1S/C19H22N2O2/c1-2-5-15(6-3-1)12-20-16-7-4-10-21(13-16)17-8-9-18-19(11-17)23-14-22-18/h1-3,5-6,8-9,11,16,20H,4,7,10,12-14H2
InChIKeyDRGPAVWIQFPXSY-UHFFFAOYSA-N
XLogP3.17
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-1-(4-methylphenyl)piperidin-3-amine
CID 83993791
(3S)-1-(1,3-benzodioxol-5-yl)piperidin-3-amine
CID 82038534
N-benzyl-1-thiophen-3-ylpiperidin-3-amine
CID 83993766
1-(1,3-benzodioxol-5-yl)piperidin-3-ol
CID 117012804
benzyl N-[1-(1,3-benzodioxol-5-yl)piperidin-3-yl]-N-(phenylmethoxycarbonylamino)carbamate
CID 129310649
1-(1,3-benzodioxol-5-yl)piperidine-3-carboxylic acid
CID 82537821
(3S)-N-benzyl-1-cyclopropylpiperidin-3-amine
CID 95912398
1-(1,3-benzodioxol-5-yl)piperidine
CID 15712176
1-(1,3-benzodioxol-5-yl)-3-phenylpiperazine
CID 64924639
(3S)-N-benzyl-1-(trifluoromethyl)piperidin-3-amine
CID 97168581
N-benzyl-1-cyclopentylpiperidin-3-amine
CID 83993823
(3S)-N-[1-(1,3-benzodioxol-5-yl)piperidin-4-yl]-1-(1,3-benzothiazol-2-yl)piperidin-3-amine
CID 26411291

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-benzylpiperidin-3-amine?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-benzylpiperidin-3-amine (CID 83993803) is 1-(1,3-benzodioxol-5-yl)-N-benzylpiperidin-3-amine.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-benzylpiperidin-3-amine?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-benzylpiperidin-3-amine is c1ccc(CNC2CCCN(c3ccc4c(c3)OCO4)C2)cc1.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-benzylpiperidin-3-amine?
The InChIKey is DRGPAVWIQFPXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-2-5-15(6-3-1)12-20-16-7-4-10-21(13-16)17-8-9-18-19(11-17)23-14-22-18/h1-3,5-6,8-9,11,16,20H,4,7,10,12-14H2.
What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-benzylpiperidin-3-amine?
1-(1,3-benzodioxol-5-yl)-N-benzylpiperidin-3-amine has a molecular weight of 310.40 g/mol, XLogP of 3.17, 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-benzylpiperidin-3-amine is sourced from PubChem (CID 83993803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).