N-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-N-ethylpiperidin-3-amine

C16H23ClN2O2 — CID 63636434

IUPACN-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-N-ethylpiperidin-3-amine
SMILESCCN(Cc1cc(Cl)cc2c1OCOC2)C1CCCNC1
InChIInChI=1S/C16H23ClN2O2/c1-2-19(15-4-3-5-18-8-15)9-12-6-14(17)7-13-10-20-11-21-16(12)13/h6-7,15,18H,2-5,8-11H2,1H3
InChIKeyKQRDIDJUQDICKA-UHFFFAOYSA-N
MW310.83 g/mol
LogP2.78
Rot. Bonds4

About N-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-N-ethylpiperidin-3-amine

N-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-N-ethylpiperidin-3-amine (PubChem CID 63636434) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.83 g/mol. Its IUPAC name is N-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-N-ethylpiperidin-3-amine.

Molecular Properties

Compound NameN-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-N-ethylpiperidin-3-amine
PubChem CID63636434
Molecular FormulaC16H23ClN2O2
Molecular Weight310.83 g/mol
Exact Mass310.14
IUPAC NameN-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-N-ethylpiperidin-3-amine
SMILESCCN(Cc1cc(Cl)cc2c1OCOC2)C1CCCNC1
InChIInChI=1S/C16H23ClN2O2/c1-2-19(15-4-3-5-18-8-15)9-12-6-14(17)7-13-10-20-11-21-16(12)13/h6-7,15,18H,2-5,8-11H2,1H3
InChIKeyKQRDIDJUQDICKA-UHFFFAOYSA-N
XLogP2.78
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-N-methylethanamine
CID 60516856
3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl-cyclobutylamino]propan-1-ol
CID 102848715
N-[(5-chloro-2-nitrophenyl)methyl]-N-ethylpiperidin-3-amine
CID 79580147
1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl-methylamino]propan-2-ol
CID 62333763
N-[(2,5-dichlorophenyl)methyl]-N-propylpiperidin-3-amine
CID 65316896
N-ethyl-N-[(3,4,5-trifluorophenyl)methyl]piperidin-3-amine
CID 63636373
N-[(2,6-dichlorophenyl)methyl]-N-ethylpiperidin-3-amine
CID 63643457
(6-chloro-4H-1,3-benzodioxin-8-yl)methyl-diethylazanium chloride
CID 18528283
2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl-(2-hydroxyethyl)amino]ethanol
CID 60686621
6-chloro-8-(ethylsulfanylmethyl)-4H-1,3-benzodioxine
CID 165347689
(6-chloro-4H-1,3-benzodioxin-8-yl)methanol
CID 16770161
N-[(2-chloro-4-fluorophenyl)methyl]-N-ethylpyrrolidin-3-amine
CID 63300164

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-N-ethylpiperidin-3-amine?
The IUPAC name of N-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-N-ethylpiperidin-3-amine (CID 63636434) is N-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-N-ethylpiperidin-3-amine.
What is the SMILES notation for N-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-N-ethylpiperidin-3-amine?
The canonical SMILES for N-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-N-ethylpiperidin-3-amine is CCN(Cc1cc(Cl)cc2c1OCOC2)C1CCCNC1.
What is the InChIKey of N-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-N-ethylpiperidin-3-amine?
The InChIKey is KQRDIDJUQDICKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-2-19(15-4-3-5-18-8-15)9-12-6-14(17)7-13-10-20-11-21-16(12)13/h6-7,15,18H,2-5,8-11H2,1H3.
What are the key properties of N-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-N-ethylpiperidin-3-amine?
N-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-N-ethylpiperidin-3-amine has a molecular weight of 310.83 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-N-ethylpiperidin-3-amine is sourced from PubChem (CID 63636434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).