N-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-N-methylpiperidin-4-amine;hydrochloride

C15H22BrClN2O2 — CID 119913450

IUPACN-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-N-methylpiperidin-4-amine;hydrochloride
SMILESCN(Cc1cc2c(cc1Br)OCCO2)C1CCNCC1.Cl
InChIInChI=1S/C15H21BrN2O2.ClH/c1-18(12-2-4-17-5-3-12)10-11-8-14-15(9-13(11)16)20-7-6-19-14;/h8-9,12,17H,2-7,10H2,1H3;1H
InChIKeyZLLVTCTVFJPRDP-UHFFFAOYSA-N
MW377.71 g/mol
LogP2.83
Rot. Bonds3

About N-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-N-methylpiperidin-4-amine;hydrochloride

N-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-N-methylpiperidin-4-amine;hydrochloride (PubChem CID 119913450) has the molecular formula C15H22BrClN2O2 and a molecular weight of 377.71 g/mol. Its IUPAC name is N-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-N-methylpiperidin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-N-methylpiperidin-4-amine;hydrochloride
PubChem CID119913450
Molecular FormulaC15H22BrClN2O2
Molecular Weight377.71 g/mol
Exact Mass376.06
IUPAC NameN-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-N-methylpiperidin-4-amine;hydrochloride
SMILESCN(Cc1cc2c(cc1Br)OCCO2)C1CCNCC1.Cl
InChIInChI=1S/C15H21BrN2O2.ClH/c1-18(12-2-4-17-5-3-12)10-11-8-14-15(9-13(11)16)20-7-6-19-14;/h8-9,12,17H,2-7,10H2,1H3;1H
InChIKeyZLLVTCTVFJPRDP-UHFFFAOYSA-N
XLogP2.83
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.71
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-N-methylpiperidin-4-amine;hydrochloride with MolForge

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Related Compounds

N-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-N-propylpyrrolidin-3-amine;hydrochloride
CID 119921716
N-[(2-bromophenyl)methyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119912776
N-[(2-bromo-4-methylphenyl)methyl]-N-methylazepan-4-amine
CID 107172051
N-[(2-bromo-4-fluorophenyl)methyl]-N-methylazepan-4-amine
CID 104974386
N-methyl-N-[(6-methyl-1,3-benzodioxol-5-yl)methyl]pyrrolidin-3-amine
CID 115118961
4-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanylmethyl]piperidine
CID 146092834
7-[[cycloheptyl(methyl)amino]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 43613817
N-[(4,5-dibromofuran-2-yl)methyl]-N-methylazepan-4-amine
CID 107172131
N-[(2,4-dimethylphenyl)methyl]-N-methylpiperidin-4-amine
CID 83713467
N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 119922766
N-[(4-amino-2-bromophenyl)methyl]-N-methyloxan-4-amine
CID 60790714
N-methyl-N-(pyridin-4-ylmethyl)piperidin-4-amine;hydrochloride
CID 71641683

Frequently Asked Questions

What is the IUPAC name of N-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-N-methylpiperidin-4-amine;hydrochloride?
The IUPAC name of N-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-N-methylpiperidin-4-amine;hydrochloride (CID 119913450) is N-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-N-methylpiperidin-4-amine;hydrochloride.
What is the SMILES notation for N-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-N-methylpiperidin-4-amine;hydrochloride?
The canonical SMILES for N-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-N-methylpiperidin-4-amine;hydrochloride is CN(Cc1cc2c(cc1Br)OCCO2)C1CCNCC1.Cl.
What is the InChIKey of N-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-N-methylpiperidin-4-amine;hydrochloride?
The InChIKey is ZLLVTCTVFJPRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2.ClH/c1-18(12-2-4-17-5-3-12)10-11-8-14-15(9-13(11)16)20-7-6-19-14;/h8-9,12,17H,2-7,10H2,1H3;1H.
What are the key properties of N-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-N-methylpiperidin-4-amine;hydrochloride?
N-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-N-methylpiperidin-4-amine;hydrochloride has a molecular weight of 377.71 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-N-methylpiperidin-4-amine;hydrochloride is sourced from PubChem (CID 119913450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).