4-(1-benzofuran-2-yl)-1-propan-2-ylpiperidine;hydrochloride

C16H22ClNO — CID 23312202

IUPAC4-(1-benzofuran-2-yl)-1-propan-2-ylpiperidine;hydrochloride
SMILESCC(C)N1CCC(c2cc3ccccc3o2)CC1.Cl
InChIInChI=1S/C16H21NO.ClH/c1-12(2)17-9-7-13(8-10-17)16-11-14-5-3-4-6-15(14)18-16;/h3-6,11-13H,7-10H2,1-2H3;1H
InChIKeyMEIAOJAHWCYTDK-UHFFFAOYSA-N
MW279.81 g/mol
LogP4.44
Rot. Bonds2

About 4-(1-benzofuran-2-yl)-1-propan-2-ylpiperidine;hydrochloride

4-(1-benzofuran-2-yl)-1-propan-2-ylpiperidine;hydrochloride (PubChem CID 23312202) has the molecular formula C16H22ClNO and a molecular weight of 279.81 g/mol. Its IUPAC name is 4-(1-benzofuran-2-yl)-1-propan-2-ylpiperidine;hydrochloride.

Molecular Properties

Compound Name4-(1-benzofuran-2-yl)-1-propan-2-ylpiperidine;hydrochloride
PubChem CID23312202
Molecular FormulaC16H22ClNO
Molecular Weight279.81 g/mol
Exact Mass279.14
IUPAC Name4-(1-benzofuran-2-yl)-1-propan-2-ylpiperidine;hydrochloride
SMILESCC(C)N1CCC(c2cc3ccccc3o2)CC1.Cl
InChIInChI=1S/C16H21NO.ClH/c1-12(2)17-9-7-13(8-10-17)16-11-14-5-3-4-6-15(14)18-16;/h3-6,11-13H,7-10H2,1-2H3;1H
InChIKeyMEIAOJAHWCYTDK-UHFFFAOYSA-N
XLogP4.44
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 ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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(2S,4R)-4-(1-benzofuran-2-yl)-2-methylpiperidine
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3-(1-benzofuran-2-yl)-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride
CID 13245213
2-chloro-5-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazole
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1-(2-cyclopropyl-1-benzofuran-5-yl)ethanamine
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2-(3,4-dimethyloxolan-2-yl)-1-benzofuran
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CID 63897326

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-2-yl)-1-propan-2-ylpiperidine;hydrochloride?
The IUPAC name of 4-(1-benzofuran-2-yl)-1-propan-2-ylpiperidine;hydrochloride (CID 23312202) is 4-(1-benzofuran-2-yl)-1-propan-2-ylpiperidine;hydrochloride.
What is the SMILES notation for 4-(1-benzofuran-2-yl)-1-propan-2-ylpiperidine;hydrochloride?
The canonical SMILES for 4-(1-benzofuran-2-yl)-1-propan-2-ylpiperidine;hydrochloride is CC(C)N1CCC(c2cc3ccccc3o2)CC1.Cl.
What is the InChIKey of 4-(1-benzofuran-2-yl)-1-propan-2-ylpiperidine;hydrochloride?
The InChIKey is MEIAOJAHWCYTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO.ClH/c1-12(2)17-9-7-13(8-10-17)16-11-14-5-3-4-6-15(14)18-16;/h3-6,11-13H,7-10H2,1-2H3;1H.
What are the key properties of 4-(1-benzofuran-2-yl)-1-propan-2-ylpiperidine;hydrochloride?
4-(1-benzofuran-2-yl)-1-propan-2-ylpiperidine;hydrochloride has a molecular weight of 279.81 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzofuran-2-yl)-1-propan-2-ylpiperidine;hydrochloride is sourced from PubChem (CID 23312202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).