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

C15H21ClN2O2 — CID 62655263

IUPAC6-chloro-N-[(1-methylpiperidin-4-yl)methyl]-2,3-dihydro-1,4-benzodioxin-7-amine
SMILESCN1CCC(CNc2cc3c(cc2Cl)OCCO3)CC1
InChIInChI=1S/C15H21ClN2O2/c1-18-4-2-11(3-5-18)10-17-13-9-15-14(8-12(13)16)19-6-7-20-15/h8-9,11,17H,2-7,10H2,1H3
InChIKeyOMPDGJVVEBPIKA-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.86
Rot. Bonds3

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

6-chloro-N-[(1-methylpiperidin-4-yl)methyl]-2,3-dihydro-1,4-benzodioxin-7-amine (PubChem CID 62655263) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 6-chloro-N-[(1-methylpiperidin-4-yl)methyl]-2,3-dihydro-1,4-benzodioxin-7-amine.

Molecular Properties

Compound Name6-chloro-N-[(1-methylpiperidin-4-yl)methyl]-2,3-dihydro-1,4-benzodioxin-7-amine
PubChem CID62655263
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name6-chloro-N-[(1-methylpiperidin-4-yl)methyl]-2,3-dihydro-1,4-benzodioxin-7-amine
SMILESCN1CCC(CNc2cc3c(cc2Cl)OCCO3)CC1
InChIInChI=1S/C15H21ClN2O2/c1-18-4-2-11(3-5-18)10-17-13-9-15-14(8-12(13)16)19-6-7-20-15/h8-9,11,17H,2-7,10H2,1H3
InChIKeyOMPDGJVVEBPIKA-UHFFFAOYSA-N
XLogP2.86
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.86
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

2,5-dichloro-4-methyl-N-[(1-methylpiperidin-4-yl)methyl]aniline
CID 104726497
6-chloro-N-(oxolan-3-ylmethyl)-2,3-dihydro-1,4-benzodioxin-7-amine
CID 43674565
2-chloro-4-methyl-N-[(1-methylpiperidin-4-yl)methyl]aniline
CID 62654344
6-chloro-N-(oxolan-3-ylmethyl)-1,3-benzodioxol-5-amine
CID 43685909
6-chloro-5-[(1-methylpiperidin-4-yl)methylamino]-1,3-dihydroindol-2-one
CID 62655083
2-chloro-N-[(1-methylpiperidin-4-yl)methyl]-5-methylsulfonylaniline
CID 62655982
4-chloro-2-fluoro-N-[(1-methylpiperidin-4-yl)methyl]aniline
CID 62658637
6-chloro-N-(oxan-3-ylmethyl)-1,3-benzodioxol-5-amine
CID 63739309
2,6-dichloro-4-fluoro-N-[(1-methylpiperidin-4-yl)methyl]aniline
CID 83076576
6-chloro-N-[(3,5-dimethylphenyl)methyl]-2,3-dihydro-1,4-benzodioxin-7-amine
CID 63428335
6-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1,4-benzodioxin-7-amine
CID 82995174
2-iodo-1-N-[(1-methylpiperidin-4-yl)methyl]benzene-1,4-diamine
CID 66094994

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(1-methylpiperidin-4-yl)methyl]-2,3-dihydro-1,4-benzodioxin-7-amine?
The IUPAC name of 6-chloro-N-[(1-methylpiperidin-4-yl)methyl]-2,3-dihydro-1,4-benzodioxin-7-amine (CID 62655263) is 6-chloro-N-[(1-methylpiperidin-4-yl)methyl]-2,3-dihydro-1,4-benzodioxin-7-amine.
What is the SMILES notation for 6-chloro-N-[(1-methylpiperidin-4-yl)methyl]-2,3-dihydro-1,4-benzodioxin-7-amine?
The canonical SMILES for 6-chloro-N-[(1-methylpiperidin-4-yl)methyl]-2,3-dihydro-1,4-benzodioxin-7-amine is CN1CCC(CNc2cc3c(cc2Cl)OCCO3)CC1.
What is the InChIKey of 6-chloro-N-[(1-methylpiperidin-4-yl)methyl]-2,3-dihydro-1,4-benzodioxin-7-amine?
The InChIKey is OMPDGJVVEBPIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-18-4-2-11(3-5-18)10-17-13-9-15-14(8-12(13)16)19-6-7-20-15/h8-9,11,17H,2-7,10H2,1H3.
What are the key properties of 6-chloro-N-[(1-methylpiperidin-4-yl)methyl]-2,3-dihydro-1,4-benzodioxin-7-amine?
6-chloro-N-[(1-methylpiperidin-4-yl)methyl]-2,3-dihydro-1,4-benzodioxin-7-amine has a molecular weight of 296.80 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(1-methylpiperidin-4-yl)methyl]-2,3-dihydro-1,4-benzodioxin-7-amine is sourced from PubChem (CID 62655263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).