1-(3,4-dihydro-2H-chromen-2-ylmethyl)piperidin-4-amine

C15H22N2O — CID 22573243

IUPAC1-(3,4-dihydro-2H-chromen-2-ylmethyl)piperidin-4-amine
SMILESNC1CCN(CC2CCc3ccccc3O2)CC1
InChIInChI=1S/C15H22N2O/c16-13-7-9-17(10-8-13)11-14-6-5-12-3-1-2-4-15(12)18-14/h1-4,13-14H,5-11,16H2
InChIKeySRONEZRNNDWTDS-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.80
Rot. Bonds2

About 1-(3,4-dihydro-2H-chromen-2-ylmethyl)piperidin-4-amine

1-(3,4-dihydro-2H-chromen-2-ylmethyl)piperidin-4-amine (PubChem CID 22573243) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-2-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-2-ylmethyl)piperidin-4-amine
PubChem CID22573243
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-(3,4-dihydro-2H-chromen-2-ylmethyl)piperidin-4-amine
SMILESNC1CCN(CC2CCc3ccccc3O2)CC1
InChIInChI=1S/C15H22N2O/c16-13-7-9-17(10-8-13)11-14-6-5-12-3-1-2-4-15(12)18-14/h1-4,13-14H,5-11,16H2
InChIKeySRONEZRNNDWTDS-UHFFFAOYSA-N
XLogP1.80
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-2-ylmethyl)piperidin-4-amine?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-2-ylmethyl)piperidin-4-amine (CID 22573243) is 1-(3,4-dihydro-2H-chromen-2-ylmethyl)piperidin-4-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-2-ylmethyl)piperidin-4-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-2-ylmethyl)piperidin-4-amine is NC1CCN(CC2CCc3ccccc3O2)CC1.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-2-ylmethyl)piperidin-4-amine?
The InChIKey is SRONEZRNNDWTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c16-13-7-9-17(10-8-13)11-14-6-5-12-3-1-2-4-15(12)18-14/h1-4,13-14H,5-11,16H2.
What are the key properties of 1-(3,4-dihydro-2H-chromen-2-ylmethyl)piperidin-4-amine?
1-(3,4-dihydro-2H-chromen-2-ylmethyl)piperidin-4-amine has a molecular weight of 246.35 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-2-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 22573243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).