1-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidin-4-amine

C20H24N2O2 — CID 118997215

IUPAC1-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidin-4-amine
SMILESc1ccc(CN2CCC(Nc3ccc4c(c3)OCCO4)CC2)cc1
InChIInChI=1S/C20H24N2O2/c1-2-4-16(5-3-1)15-22-10-8-17(9-11-22)21-18-6-7-19-20(14-18)24-13-12-23-19/h1-7,14,17,21H,8-13,15H2
InChIKeyADBNAUQRSMRBQP-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.53
Rot. Bonds4

About 1-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidin-4-amine

1-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidin-4-amine (PubChem CID 118997215) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 1-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidin-4-amine
PubChem CID118997215
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name1-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidin-4-amine
SMILESc1ccc(CN2CCC(Nc3ccc4c(c3)OCCO4)CC2)cc1
InChIInChI=1S/C20H24N2O2/c1-2-4-16(5-3-1)15-22-10-8-17(9-11-22)21-18-6-7-19-20(14-18)24-13-12-23-19/h1-7,14,17,21H,8-13,15H2
InChIKeyADBNAUQRSMRBQP-UHFFFAOYSA-N
XLogP3.53
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.53
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-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-methylpropyl)piperidin-4-amine
CID 103936249
N-(1-benzylpiperidin-4-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 9114216
1-N-(1-benzylpiperidin-4-yl)-4-N,4-N-dimethylbenzene-1,4-diamine
CID 90316616
3-[(1-benzylpiperidin-4-yl)amino]phenol
CID 28722324
N-(1-benzylpiperidin-4-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 2814953
1-benzyl-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)piperidin-4-amine
CID 68673729
4-N-(1-benzylpiperidin-4-yl)-2-methoxybenzene-1,4-diamine
CID 58608359
(3S)-1-benzyl-N-(3-fluorophenyl)pyrrolidin-3-amine
CID 29080908
N-(1-benzylpiperidin-4-yl)-1-methylindazol-5-amine
CID 22933598
(3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-amine
CID 25289632
N-(1,3-benzodioxol-5-yl)-1-ethylazepan-4-amine
CID 65072696
N-(1-benzylpiperidin-4-yl)-5-bromopyridin-3-amine
CID 115656855

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidin-4-amine?
The IUPAC name of 1-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidin-4-amine (CID 118997215) is 1-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidin-4-amine.
What is the SMILES notation for 1-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidin-4-amine?
The canonical SMILES for 1-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidin-4-amine is c1ccc(CN2CCC(Nc3ccc4c(c3)OCCO4)CC2)cc1.
What is the InChIKey of 1-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidin-4-amine?
The InChIKey is ADBNAUQRSMRBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-2-4-16(5-3-1)15-22-10-8-17(9-11-22)21-18-6-7-19-20(14-18)24-13-12-23-19/h1-7,14,17,21H,8-13,15H2.
What are the key properties of 1-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidin-4-amine?
1-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidin-4-amine has a molecular weight of 324.42 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidin-4-amine is sourced from PubChem (CID 118997215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).