(4-aminopiperidin-1-yl)-(2H-chromen-3-yl)methanone;hydrochloride

C15H19ClN2O2 — CID 119373372

IUPAC(4-aminopiperidin-1-yl)-(2H-chromen-3-yl)methanone;hydrochloride
SMILESCl.NC1CCN(C(=O)C2=Cc3ccccc3OC2)CC1
InChIInChI=1S/C15H18N2O2.ClH/c16-13-5-7-17(8-6-13)15(18)12-9-11-3-1-2-4-14(11)19-10-12;/h1-4,9,13H,5-8,10,16H2;1H
InChIKeyNULHXUXOQDSFIP-UHFFFAOYSA-N
MW294.78 g/mol
LogP1.83
Rot. Bonds1

About (4-aminopiperidin-1-yl)-(2H-chromen-3-yl)methanone;hydrochloride

(4-aminopiperidin-1-yl)-(2H-chromen-3-yl)methanone;hydrochloride (PubChem CID 119373372) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-(2H-chromen-3-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-(2H-chromen-3-yl)methanone;hydrochloride
PubChem CID119373372
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name(4-aminopiperidin-1-yl)-(2H-chromen-3-yl)methanone;hydrochloride
SMILESCl.NC1CCN(C(=O)C2=Cc3ccccc3OC2)CC1
InChIInChI=1S/C15H18N2O2.ClH/c16-13-5-7-17(8-6-13)15(18)12-9-11-3-1-2-4-14(11)19-10-12;/h1-4,9,13H,5-8,10,16H2;1H
InChIKeyNULHXUXOQDSFIP-UHFFFAOYSA-N
XLogP1.83
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-(2H-chromen-3-yl)methanone;hydrochloride?
The IUPAC name of (4-aminopiperidin-1-yl)-(2H-chromen-3-yl)methanone;hydrochloride (CID 119373372) is (4-aminopiperidin-1-yl)-(2H-chromen-3-yl)methanone;hydrochloride.
What is the SMILES notation for (4-aminopiperidin-1-yl)-(2H-chromen-3-yl)methanone;hydrochloride?
The canonical SMILES for (4-aminopiperidin-1-yl)-(2H-chromen-3-yl)methanone;hydrochloride is Cl.NC1CCN(C(=O)C2=Cc3ccccc3OC2)CC1.
What is the InChIKey of (4-aminopiperidin-1-yl)-(2H-chromen-3-yl)methanone;hydrochloride?
The InChIKey is NULHXUXOQDSFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2.ClH/c16-13-5-7-17(8-6-13)15(18)12-9-11-3-1-2-4-14(11)19-10-12;/h1-4,9,13H,5-8,10,16H2;1H.
What are the key properties of (4-aminopiperidin-1-yl)-(2H-chromen-3-yl)methanone;hydrochloride?
(4-aminopiperidin-1-yl)-(2H-chromen-3-yl)methanone;hydrochloride has a molecular weight of 294.78 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl)-(2H-chromen-3-yl)methanone;hydrochloride is sourced from PubChem (CID 119373372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).