1-(2H-chromen-3-ylmethyl)piperidine;hydrochloride

C15H20ClNO — CID 3068797

IUPAC1-(2H-chromen-3-ylmethyl)piperidine;hydrochloride
SMILESC1=C(CN2CCCCC2)COc2ccccc21.Cl
InChIInChI=1S/C15H19NO.ClH/c1-4-8-16(9-5-1)11-13-10-14-6-2-3-7-15(14)17-12-13;/h2-3,6-7,10H,1,4-5,8-9,11-12H2;1H
InChIKeyVWHSQQXTBAIAOG-UHFFFAOYSA-N
MW265.78 g/mol
LogP3.37
Rot. Bonds2

About 1-(2H-chromen-3-ylmethyl)piperidine;hydrochloride

1-(2H-chromen-3-ylmethyl)piperidine;hydrochloride (PubChem CID 3068797) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is 1-(2H-chromen-3-ylmethyl)piperidine;hydrochloride.

Molecular Properties

Compound Name1-(2H-chromen-3-ylmethyl)piperidine;hydrochloride
PubChem CID3068797
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Name1-(2H-chromen-3-ylmethyl)piperidine;hydrochloride
SMILESC1=C(CN2CCCCC2)COc2ccccc21.Cl
InChIInChI=1S/C15H19NO.ClH/c1-4-8-16(9-5-1)11-13-10-14-6-2-3-7-15(14)17-12-13;/h2-3,6-7,10H,1,4-5,8-9,11-12H2;1H
InChIKeyVWHSQQXTBAIAOG-UHFFFAOYSA-N
XLogP3.37
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2H-chromen-3-ylmethyl)piperidine;hydrochloride?
The IUPAC name of 1-(2H-chromen-3-ylmethyl)piperidine;hydrochloride (CID 3068797) is 1-(2H-chromen-3-ylmethyl)piperidine;hydrochloride.
What is the SMILES notation for 1-(2H-chromen-3-ylmethyl)piperidine;hydrochloride?
The canonical SMILES for 1-(2H-chromen-3-ylmethyl)piperidine;hydrochloride is C1=C(CN2CCCCC2)COc2ccccc21.Cl.
What is the InChIKey of 1-(2H-chromen-3-ylmethyl)piperidine;hydrochloride?
The InChIKey is VWHSQQXTBAIAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO.ClH/c1-4-8-16(9-5-1)11-13-10-14-6-2-3-7-15(14)17-12-13;/h2-3,6-7,10H,1,4-5,8-9,11-12H2;1H.
What are the key properties of 1-(2H-chromen-3-ylmethyl)piperidine;hydrochloride?
1-(2H-chromen-3-ylmethyl)piperidine;hydrochloride has a molecular weight of 265.78 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2H-chromen-3-ylmethyl)piperidine;hydrochloride is sourced from PubChem (CID 3068797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).