2-(1-benzylpiperidin-4-yl)-1-(3-chlorothiophen-2-yl)ethanol

C18H22ClNOS — CID 22248178

IUPAC2-(1-benzylpiperidin-4-yl)-1-(3-chlorothiophen-2-yl)ethanol
SMILESOC(CC1CCN(Cc2ccccc2)CC1)c1sccc1Cl
InChIInChI=1S/C18H22ClNOS/c19-16-8-11-22-18(16)17(21)12-14-6-9-20(10-7-14)13-15-4-2-1-3-5-15/h1-5,8,11,14,17,21H,6-7,9-10,12-13H2
InChIKeyFTLONLVOIQBPHA-UHFFFAOYSA-N
MW335.90 g/mol
LogP4.74
Rot. Bonds5

About 2-(1-benzylpiperidin-4-yl)-1-(3-chlorothiophen-2-yl)ethanol

2-(1-benzylpiperidin-4-yl)-1-(3-chlorothiophen-2-yl)ethanol (PubChem CID 22248178) has the molecular formula C18H22ClNOS and a molecular weight of 335.90 g/mol. Its IUPAC name is 2-(1-benzylpiperidin-4-yl)-1-(3-chlorothiophen-2-yl)ethanol.

Molecular Properties

Compound Name2-(1-benzylpiperidin-4-yl)-1-(3-chlorothiophen-2-yl)ethanol
PubChem CID22248178
Molecular FormulaC18H22ClNOS
Molecular Weight335.90 g/mol
Exact Mass335.11
IUPAC Name2-(1-benzylpiperidin-4-yl)-1-(3-chlorothiophen-2-yl)ethanol
SMILESOC(CC1CCN(Cc2ccccc2)CC1)c1sccc1Cl
InChIInChI=1S/C18H22ClNOS/c19-16-8-11-22-18(16)17(21)12-14-6-9-20(10-7-14)13-15-4-2-1-3-5-15/h1-5,8,11,14,17,21H,6-7,9-10,12-13H2
InChIKeyFTLONLVOIQBPHA-UHFFFAOYSA-N
XLogP4.74
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.90
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorothiophen-2-yl)-2-(oxan-4-yl)ethanol
CID 115789625
1-(1-benzylpiperidin-4-yl)-3-methylbutan-2-amine
CID 83983169
2-[(1-benzylpiperidin-4-yl)methyl]propanedioate;hydrochloride
CID 18386676
2-(1-benzylpiperidin-4-yl)-1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethanol
CID 10433334
(1R)-2-amino-1-(1-benzylpiperidin-4-yl)ethanol
CID 96813761
(1-benzylpiperidin-4-yl)methanethiol
CID 88901626
1-(3-chlorothiophen-2-yl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanol
CID 115831946
2-[(1-benzylpiperidin-4-yl)-methylamino]phenol
CID 57245914
(1R)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethanol
CID 96766487
(1-benzylpiperidin-4-yl)methanesulfonic acid
CID 150183274
propan-2-yl 2-(1-benzylpiperidin-4-yl)acetate
CID 83983157
2-(1-benzylpiperidin-4-yl)ethanamine;dihydrochloride
CID 17221509

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylpiperidin-4-yl)-1-(3-chlorothiophen-2-yl)ethanol?
The IUPAC name of 2-(1-benzylpiperidin-4-yl)-1-(3-chlorothiophen-2-yl)ethanol (CID 22248178) is 2-(1-benzylpiperidin-4-yl)-1-(3-chlorothiophen-2-yl)ethanol.
What is the SMILES notation for 2-(1-benzylpiperidin-4-yl)-1-(3-chlorothiophen-2-yl)ethanol?
The canonical SMILES for 2-(1-benzylpiperidin-4-yl)-1-(3-chlorothiophen-2-yl)ethanol is OC(CC1CCN(Cc2ccccc2)CC1)c1sccc1Cl.
What is the InChIKey of 2-(1-benzylpiperidin-4-yl)-1-(3-chlorothiophen-2-yl)ethanol?
The InChIKey is FTLONLVOIQBPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNOS/c19-16-8-11-22-18(16)17(21)12-14-6-9-20(10-7-14)13-15-4-2-1-3-5-15/h1-5,8,11,14,17,21H,6-7,9-10,12-13H2.
What are the key properties of 2-(1-benzylpiperidin-4-yl)-1-(3-chlorothiophen-2-yl)ethanol?
2-(1-benzylpiperidin-4-yl)-1-(3-chlorothiophen-2-yl)ethanol has a molecular weight of 335.90 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylpiperidin-4-yl)-1-(3-chlorothiophen-2-yl)ethanol is sourced from PubChem (CID 22248178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).