3-(4,4-diethylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-amine

C18H28N2O — CID 63160368

IUPAC3-(4,4-diethylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESCCC1(CC)CCN(C2COc3ccccc3C2N)CC1
InChIInChI=1S/C18H28N2O/c1-3-18(4-2)9-11-20(12-10-18)15-13-21-16-8-6-5-7-14(16)17(15)19/h5-8,15,17H,3-4,9-13,19H2,1-2H3
InChIKeyUEAIFQPVSMCMJX-UHFFFAOYSA-N
MW288.43 g/mol
LogP3.35
Rot. Bonds3

About 3-(4,4-diethylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-amine

3-(4,4-diethylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 63160368) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is 3-(4,4-diethylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name3-(4,4-diethylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID63160368
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name3-(4,4-diethylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESCCC1(CC)CCN(C2COc3ccccc3C2N)CC1
InChIInChI=1S/C18H28N2O/c1-3-18(4-2)9-11-20(12-10-18)15-13-21-16-8-6-5-7-14(16)17(15)19/h5-8,15,17H,3-4,9-13,19H2,1-2H3
InChIKeyUEAIFQPVSMCMJX-UHFFFAOYSA-N
XLogP3.35
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4,4-diethylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 3-(4,4-diethylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-amine (CID 63160368) is 3-(4,4-diethylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 3-(4,4-diethylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 3-(4,4-diethylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-amine is CCC1(CC)CCN(C2COc3ccccc3C2N)CC1.
What is the InChIKey of 3-(4,4-diethylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is UEAIFQPVSMCMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-3-18(4-2)9-11-20(12-10-18)15-13-21-16-8-6-5-7-14(16)17(15)19/h5-8,15,17H,3-4,9-13,19H2,1-2H3.
What are the key properties of 3-(4,4-diethylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-amine?
3-(4,4-diethylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 288.43 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-diethylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 63160368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).