N-(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)-1,2-dimethylpiperidin-4-amine

C16H22Cl2N2O — CID 81345378

IUPACN-(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)-1,2-dimethylpiperidin-4-amine
SMILESCC1CC(NC2CCOc3c(Cl)cc(Cl)cc32)CCN1C
InChIInChI=1S/C16H22Cl2N2O/c1-10-7-12(3-5-20(10)2)19-15-4-6-21-16-13(15)8-11(17)9-14(16)18/h8-10,12,15,19H,3-7H2,1-2H3
InChIKeyCBQRRKBRDWSODR-UHFFFAOYSA-N
MW329.27 g/mol
LogP3.89
Rot. Bonds2

About N-(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)-1,2-dimethylpiperidin-4-amine

N-(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)-1,2-dimethylpiperidin-4-amine (PubChem CID 81345378) has the molecular formula C16H22Cl2N2O and a molecular weight of 329.27 g/mol. Its IUPAC name is N-(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)-1,2-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)-1,2-dimethylpiperidin-4-amine
PubChem CID81345378
Molecular FormulaC16H22Cl2N2O
Molecular Weight329.27 g/mol
Exact Mass328.11
IUPAC NameN-(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)-1,2-dimethylpiperidin-4-amine
SMILESCC1CC(NC2CCOc3c(Cl)cc(Cl)cc32)CCN1C
InChIInChI=1S/C16H22Cl2N2O/c1-10-7-12(3-5-20(10)2)19-15-4-6-21-16-13(15)8-11(17)9-14(16)18/h8-10,12,15,19H,3-7H2,1-2H3
InChIKeyCBQRRKBRDWSODR-UHFFFAOYSA-N
XLogP3.89
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.27
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)-1,2-dimethylpiperidin-4-amine?
The IUPAC name of N-(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)-1,2-dimethylpiperidin-4-amine (CID 81345378) is N-(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)-1,2-dimethylpiperidin-4-amine.
What is the SMILES notation for N-(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)-1,2-dimethylpiperidin-4-amine?
The canonical SMILES for N-(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)-1,2-dimethylpiperidin-4-amine is CC1CC(NC2CCOc3c(Cl)cc(Cl)cc32)CCN1C.
What is the InChIKey of N-(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)-1,2-dimethylpiperidin-4-amine?
The InChIKey is CBQRRKBRDWSODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2N2O/c1-10-7-12(3-5-20(10)2)19-15-4-6-21-16-13(15)8-11(17)9-14(16)18/h8-10,12,15,19H,3-7H2,1-2H3.
What are the key properties of N-(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)-1,2-dimethylpiperidin-4-amine?
N-(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)-1,2-dimethylpiperidin-4-amine has a molecular weight of 329.27 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)-1,2-dimethylpiperidin-4-amine is sourced from PubChem (CID 81345378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).