[4-(2-piperidin-1-ylethoxy)phenyl]-thiophen-3-ylmethanone;hydrochloride

C18H22ClNO2S — CID 22070931

IUPAC[4-(2-piperidin-1-ylethoxy)phenyl]-thiophen-3-ylmethanone;hydrochloride
SMILESCl.O=C(c1ccc(OCCN2CCCCC2)cc1)c1ccsc1
InChIInChI=1S/C18H21NO2S.ClH/c20-18(16-8-13-22-14-16)15-4-6-17(7-5-15)21-12-11-19-9-2-1-3-10-19;/h4-8,13-14H,1-3,9-12H2;1H
InChIKeyIRDZYHXBLFVVAU-UHFFFAOYSA-N
MW351.90 g/mol
LogP4.27
Rot. Bonds6

About [4-(2-piperidin-1-ylethoxy)phenyl]-thiophen-3-ylmethanone;hydrochloride

[4-(2-piperidin-1-ylethoxy)phenyl]-thiophen-3-ylmethanone;hydrochloride (PubChem CID 22070931) has the molecular formula C18H22ClNO2S and a molecular weight of 351.90 g/mol. Its IUPAC name is [4-(2-piperidin-1-ylethoxy)phenyl]-thiophen-3-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[4-(2-piperidin-1-ylethoxy)phenyl]-thiophen-3-ylmethanone;hydrochloride
PubChem CID22070931
Molecular FormulaC18H22ClNO2S
Molecular Weight351.90 g/mol
Exact Mass351.11
IUPAC Name[4-(2-piperidin-1-ylethoxy)phenyl]-thiophen-3-ylmethanone;hydrochloride
SMILESCl.O=C(c1ccc(OCCN2CCCCC2)cc1)c1ccsc1
InChIInChI=1S/C18H21NO2S.ClH/c20-18(16-8-13-22-14-16)15-4-6-17(7-5-15)21-12-11-19-9-2-1-3-10-19;/h4-8,13-14H,1-3,9-12H2;1H
InChIKeyIRDZYHXBLFVVAU-UHFFFAOYSA-N
XLogP4.27
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.90
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(2-piperidin-1-ylethoxy)-3-pyridinyl]-thiophen-3-ylmethanone
CID 22443635
4-[2-(azepan-1-yl)ethoxy]benzamide
CID 147487835
ethane;4-(2-piperidin-1-ylethoxy)benzoic acid
CID 142014809
4-[4-(2-piperidin-1-ylethoxy)phenyl]benzoic acid
CID 19085087
4-(2-pyrrolidin-1-ylethoxy)benzamide
CID 22137456
4-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]benzoic acid
CID 18678227
4-(2-pyrrolidin-1-ylethoxy)benzohydrazide
CID 63570602
methane;4-(2-piperidin-1-ylethoxy)benzoic acid;4-(2-piperidin-1-ylethoxy)benzoyl chloride
CID 161045120
bis([6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone);dihydrochloride
CID 173469458
4-[2-(azepan-1-yl)ethoxy]-N'-hydroxybenzenecarboximidamide
CID 61301567
1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]prop-2-en-1-one
CID 140994444
1-[2-[4-(3-methylbut-2-en-2-yl)phenoxy]ethyl]piperidine
CID 71038694

Frequently Asked Questions

What is the IUPAC name of [4-(2-piperidin-1-ylethoxy)phenyl]-thiophen-3-ylmethanone;hydrochloride?
The IUPAC name of [4-(2-piperidin-1-ylethoxy)phenyl]-thiophen-3-ylmethanone;hydrochloride (CID 22070931) is [4-(2-piperidin-1-ylethoxy)phenyl]-thiophen-3-ylmethanone;hydrochloride.
What is the SMILES notation for [4-(2-piperidin-1-ylethoxy)phenyl]-thiophen-3-ylmethanone;hydrochloride?
The canonical SMILES for [4-(2-piperidin-1-ylethoxy)phenyl]-thiophen-3-ylmethanone;hydrochloride is Cl.O=C(c1ccc(OCCN2CCCCC2)cc1)c1ccsc1.
What is the InChIKey of [4-(2-piperidin-1-ylethoxy)phenyl]-thiophen-3-ylmethanone;hydrochloride?
The InChIKey is IRDZYHXBLFVVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2S.ClH/c20-18(16-8-13-22-14-16)15-4-6-17(7-5-15)21-12-11-19-9-2-1-3-10-19;/h4-8,13-14H,1-3,9-12H2;1H.
What are the key properties of [4-(2-piperidin-1-ylethoxy)phenyl]-thiophen-3-ylmethanone;hydrochloride?
[4-(2-piperidin-1-ylethoxy)phenyl]-thiophen-3-ylmethanone;hydrochloride has a molecular weight of 351.90 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-piperidin-1-ylethoxy)phenyl]-thiophen-3-ylmethanone;hydrochloride is sourced from PubChem (CID 22070931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).