1-(1-benzofuran-2-ylmethyl)-3,3-dimethylpiperidine;hydrochloride

C16H22ClNO — CID 57395907

IUPAC1-(1-benzofuran-2-ylmethyl)-3,3-dimethylpiperidine;hydrochloride
SMILESCC1(C)CCCN(Cc2cc3ccccc3o2)C1.Cl
InChIInChI=1S/C16H21NO.ClH/c1-16(2)8-5-9-17(12-16)11-14-10-13-6-3-4-7-15(13)18-14;/h3-4,6-7,10H,5,8-9,11-12H2,1-2H3;1H
InChIKeyROWZTGIPQWTFPD-UHFFFAOYSA-N
MW279.81 g/mol
LogP4.48
Rot. Bonds2

About 1-(1-benzofuran-2-ylmethyl)-3,3-dimethylpiperidine;hydrochloride

1-(1-benzofuran-2-ylmethyl)-3,3-dimethylpiperidine;hydrochloride (PubChem CID 57395907) has the molecular formula C16H22ClNO and a molecular weight of 279.81 g/mol. Its IUPAC name is 1-(1-benzofuran-2-ylmethyl)-3,3-dimethylpiperidine;hydrochloride.

Molecular Properties

Compound Name1-(1-benzofuran-2-ylmethyl)-3,3-dimethylpiperidine;hydrochloride
PubChem CID57395907
Molecular FormulaC16H22ClNO
Molecular Weight279.81 g/mol
Exact Mass279.14
IUPAC Name1-(1-benzofuran-2-ylmethyl)-3,3-dimethylpiperidine;hydrochloride
SMILESCC1(C)CCCN(Cc2cc3ccccc3o2)C1.Cl
InChIInChI=1S/C16H21NO.ClH/c1-16(2)8-5-9-17(12-16)11-14-10-13-6-3-4-7-15(13)18-14;/h3-4,6-7,10H,5,8-9,11-12H2,1-2H3;1H
InChIKeyROWZTGIPQWTFPD-UHFFFAOYSA-N
XLogP4.48
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-ylmethyl)-3,3-dimethylpiperidine;hydrochloride?
The IUPAC name of 1-(1-benzofuran-2-ylmethyl)-3,3-dimethylpiperidine;hydrochloride (CID 57395907) is 1-(1-benzofuran-2-ylmethyl)-3,3-dimethylpiperidine;hydrochloride.
What is the SMILES notation for 1-(1-benzofuran-2-ylmethyl)-3,3-dimethylpiperidine;hydrochloride?
The canonical SMILES for 1-(1-benzofuran-2-ylmethyl)-3,3-dimethylpiperidine;hydrochloride is CC1(C)CCCN(Cc2cc3ccccc3o2)C1.Cl.
What is the InChIKey of 1-(1-benzofuran-2-ylmethyl)-3,3-dimethylpiperidine;hydrochloride?
The InChIKey is ROWZTGIPQWTFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO.ClH/c1-16(2)8-5-9-17(12-16)11-14-10-13-6-3-4-7-15(13)18-14;/h3-4,6-7,10H,5,8-9,11-12H2,1-2H3;1H.
What are the key properties of 1-(1-benzofuran-2-ylmethyl)-3,3-dimethylpiperidine;hydrochloride?
1-(1-benzofuran-2-ylmethyl)-3,3-dimethylpiperidine;hydrochloride has a molecular weight of 279.81 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-ylmethyl)-3,3-dimethylpiperidine;hydrochloride is sourced from PubChem (CID 57395907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).