1-[3-(1-benzofuran-4-yl)propyl]-3,3-dimethylpiperidine;hydrochloride

C18H26ClNO — CID 57402889

IUPAC1-[3-(1-benzofuran-4-yl)propyl]-3,3-dimethylpiperidine;hydrochloride
SMILESCC1(C)CCCN(CCCc2cccc3occc23)C1.Cl
InChIInChI=1S/C18H25NO.ClH/c1-18(2)10-5-12-19(14-18)11-4-7-15-6-3-8-17-16(15)9-13-20-17;/h3,6,8-9,13H,4-5,7,10-12,14H2,1-2H3;1H
InChIKeyNPONZHCOURRGGK-UHFFFAOYSA-N
MW307.86 g/mol
LogP4.91
Rot. Bonds4

About 1-[3-(1-benzofuran-4-yl)propyl]-3,3-dimethylpiperidine;hydrochloride

1-[3-(1-benzofuran-4-yl)propyl]-3,3-dimethylpiperidine;hydrochloride (PubChem CID 57402889) has the molecular formula C18H26ClNO and a molecular weight of 307.86 g/mol. Its IUPAC name is 1-[3-(1-benzofuran-4-yl)propyl]-3,3-dimethylpiperidine;hydrochloride.

Molecular Properties

Compound Name1-[3-(1-benzofuran-4-yl)propyl]-3,3-dimethylpiperidine;hydrochloride
PubChem CID57402889
Molecular FormulaC18H26ClNO
Molecular Weight307.86 g/mol
Exact Mass307.17
IUPAC Name1-[3-(1-benzofuran-4-yl)propyl]-3,3-dimethylpiperidine;hydrochloride
SMILESCC1(C)CCCN(CCCc2cccc3occc23)C1.Cl
InChIInChI=1S/C18H25NO.ClH/c1-18(2)10-5-12-19(14-18)11-4-7-15-6-3-8-17-16(15)9-13-20-17;/h3,6,8-9,13H,4-5,7,10-12,14H2,1-2H3;1H
InChIKeyNPONZHCOURRGGK-UHFFFAOYSA-N
XLogP4.91
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.86
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-benzofuran-4-yl)propyl]-3,3-dimethylpiperidine;hydrochloride?
The IUPAC name of 1-[3-(1-benzofuran-4-yl)propyl]-3,3-dimethylpiperidine;hydrochloride (CID 57402889) is 1-[3-(1-benzofuran-4-yl)propyl]-3,3-dimethylpiperidine;hydrochloride.
What is the SMILES notation for 1-[3-(1-benzofuran-4-yl)propyl]-3,3-dimethylpiperidine;hydrochloride?
The canonical SMILES for 1-[3-(1-benzofuran-4-yl)propyl]-3,3-dimethylpiperidine;hydrochloride is CC1(C)CCCN(CCCc2cccc3occc23)C1.Cl.
What is the InChIKey of 1-[3-(1-benzofuran-4-yl)propyl]-3,3-dimethylpiperidine;hydrochloride?
The InChIKey is NPONZHCOURRGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO.ClH/c1-18(2)10-5-12-19(14-18)11-4-7-15-6-3-8-17-16(15)9-13-20-17;/h3,6,8-9,13H,4-5,7,10-12,14H2,1-2H3;1H.
What are the key properties of 1-[3-(1-benzofuran-4-yl)propyl]-3,3-dimethylpiperidine;hydrochloride?
1-[3-(1-benzofuran-4-yl)propyl]-3,3-dimethylpiperidine;hydrochloride has a molecular weight of 307.86 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-benzofuran-4-yl)propyl]-3,3-dimethylpiperidine;hydrochloride is sourced from PubChem (CID 57402889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).