3,4-dihydro-2H-chromen-4-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone

C17H24N2O2 — CID 63710835

IUPAC3,4-dihydro-2H-chromen-4-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNCC1CCN(C(=O)C2CCOc3ccccc32)CC1
InChIInChI=1S/C17H24N2O2/c1-18-12-13-6-9-19(10-7-13)17(20)15-8-11-21-16-5-3-2-4-14(15)16/h2-5,13,15,18H,6-12H2,1H3
InChIKeyDLODPJNAEPFAJA-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.01
Rot. Bonds3

About 3,4-dihydro-2H-chromen-4-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone

3,4-dihydro-2H-chromen-4-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone (PubChem CID 63710835) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromen-4-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-chromen-4-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone
PubChem CID63710835
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name3,4-dihydro-2H-chromen-4-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNCC1CCN(C(=O)C2CCOc3ccccc32)CC1
InChIInChI=1S/C17H24N2O2/c1-18-12-13-6-9-19(10-7-13)17(20)15-8-11-21-16-5-3-2-4-14(15)16/h2-5,13,15,18H,6-12H2,1H3
InChIKeyDLODPJNAEPFAJA-UHFFFAOYSA-N
XLogP2.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromen-4-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone?
The IUPAC name of 3,4-dihydro-2H-chromen-4-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone (CID 63710835) is 3,4-dihydro-2H-chromen-4-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone.
What is the SMILES notation for 3,4-dihydro-2H-chromen-4-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone?
The canonical SMILES for 3,4-dihydro-2H-chromen-4-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone is CNCC1CCN(C(=O)C2CCOc3ccccc32)CC1.
What is the InChIKey of 3,4-dihydro-2H-chromen-4-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone?
The InChIKey is DLODPJNAEPFAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-18-12-13-6-9-19(10-7-13)17(20)15-8-11-21-16-5-3-2-4-14(15)16/h2-5,13,15,18H,6-12H2,1H3.
What are the key properties of 3,4-dihydro-2H-chromen-4-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone?
3,4-dihydro-2H-chromen-4-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone has a molecular weight of 288.39 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-chromen-4-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 63710835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).