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

C18H26ClNS — CID 57394127

IUPAC1-[3-(1-benzothiophen-4-yl)propyl]-3,3-dimethylpiperidine;hydrochloride
SMILESCC1(C)CCCN(CCCc2cccc3sccc23)C1.Cl
InChIInChI=1S/C18H25NS.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
InChIKeyPFFMKSYXPOYGLR-UHFFFAOYSA-N
MW323.93 g/mol
LogP5.38
Rot. Bonds4

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

1-[3-(1-benzothiophen-4-yl)propyl]-3,3-dimethylpiperidine;hydrochloride (PubChem CID 57394127) has the molecular formula C18H26ClNS and a molecular weight of 323.93 g/mol. Its IUPAC name is 1-[3-(1-benzothiophen-4-yl)propyl]-3,3-dimethylpiperidine;hydrochloride.

Molecular Properties

Compound Name1-[3-(1-benzothiophen-4-yl)propyl]-3,3-dimethylpiperidine;hydrochloride
PubChem CID57394127
Molecular FormulaC18H26ClNS
Molecular Weight323.93 g/mol
Exact Mass323.15
IUPAC Name1-[3-(1-benzothiophen-4-yl)propyl]-3,3-dimethylpiperidine;hydrochloride
SMILESCC1(C)CCCN(CCCc2cccc3sccc23)C1.Cl
InChIInChI=1S/C18H25NS.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
InChIKeyPFFMKSYXPOYGLR-UHFFFAOYSA-N
XLogP5.38
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.93
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-benzothiophen-4-yl)propyl]-3,3-dimethylpiperidine;hydrochloride?
The IUPAC name of 1-[3-(1-benzothiophen-4-yl)propyl]-3,3-dimethylpiperidine;hydrochloride (CID 57394127) is 1-[3-(1-benzothiophen-4-yl)propyl]-3,3-dimethylpiperidine;hydrochloride.
What is the SMILES notation for 1-[3-(1-benzothiophen-4-yl)propyl]-3,3-dimethylpiperidine;hydrochloride?
The canonical SMILES for 1-[3-(1-benzothiophen-4-yl)propyl]-3,3-dimethylpiperidine;hydrochloride is CC1(C)CCCN(CCCc2cccc3sccc23)C1.Cl.
What is the InChIKey of 1-[3-(1-benzothiophen-4-yl)propyl]-3,3-dimethylpiperidine;hydrochloride?
The InChIKey is PFFMKSYXPOYGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NS.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-benzothiophen-4-yl)propyl]-3,3-dimethylpiperidine;hydrochloride?
1-[3-(1-benzothiophen-4-yl)propyl]-3,3-dimethylpiperidine;hydrochloride has a molecular weight of 323.93 g/mol, XLogP of 5.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-benzothiophen-4-yl)propyl]-3,3-dimethylpiperidine;hydrochloride is sourced from PubChem (CID 57394127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).