1-[2-(4-fluorophenyl)ethyl]-4-(2-methoxyphenyl)sulfanylpiperidine;hydrochloride

C20H25ClFNOS — CID 141037033

IUPAC1-[2-(4-fluorophenyl)ethyl]-4-(2-methoxyphenyl)sulfanylpiperidine;hydrochloride
SMILESCOc1ccccc1SC1CCN(CCc2ccc(F)cc2)CC1.Cl
InChIInChI=1S/C20H24FNOS.ClH/c1-23-19-4-2-3-5-20(19)24-18-11-14-22(15-12-18)13-10-16-6-8-17(21)9-7-16;/h2-9,18H,10-15H2,1H3;1H
InChIKeyDRVKYHPBDOXVKN-UHFFFAOYSA-N
MW381.94 g/mol
LogP5.06
Rot. Bonds6

About 1-[2-(4-fluorophenyl)ethyl]-4-(2-methoxyphenyl)sulfanylpiperidine;hydrochloride

1-[2-(4-fluorophenyl)ethyl]-4-(2-methoxyphenyl)sulfanylpiperidine;hydrochloride (PubChem CID 141037033) has the molecular formula C20H25ClFNOS and a molecular weight of 381.94 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)ethyl]-4-(2-methoxyphenyl)sulfanylpiperidine;hydrochloride.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)ethyl]-4-(2-methoxyphenyl)sulfanylpiperidine;hydrochloride
PubChem CID141037033
Molecular FormulaC20H25ClFNOS
Molecular Weight381.94 g/mol
Exact Mass381.13
IUPAC Name1-[2-(4-fluorophenyl)ethyl]-4-(2-methoxyphenyl)sulfanylpiperidine;hydrochloride
SMILESCOc1ccccc1SC1CCN(CCc2ccc(F)cc2)CC1.Cl
InChIInChI=1S/C20H24FNOS.ClH/c1-23-19-4-2-3-5-20(19)24-18-11-14-22(15-12-18)13-10-16-6-8-17(21)9-7-16;/h2-9,18H,10-15H2,1H3;1H
InChIKeyDRVKYHPBDOXVKN-UHFFFAOYSA-N
XLogP5.06
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.94
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-(4-fluorophenyl)ethyl]-4-(2-methoxyphenyl)sulfanylpiperidine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]sulfanyl-1H-benzimidazole;hydrochloride
CID 141037025
1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-4-methoxy-2,3-dihydroindole
CID 22038366
(R)-(2,3-dimethoxyphenyl)-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanol
CID 25242563
2-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-hydroxymethyl]-6-methoxybenzaldehyde
CID 59915472
1-[2-(4-fluorophenyl)ethyl]-4-[2-(4-methylpiperidin-1-yl)ethyl]piperazine
CID 84589032
N-[(4-fluorophenyl)methyl]-1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-methylmethanamine
CID 26407576
4-[(4-fluorophenyl)methyl]-1-(2-naphthalen-2-ylethyl)piperidine
CID 14280679
[(S)-(2,3-dimethoxyphenyl)-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl] butanoate
CID 11080742
1-[2-(2-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine;dihydrochloride
CID 155541951
methyl 3-[4-(2-propan-2-yloxyphenyl)sulfanylpiperidin-1-yl]propanoate
CID 177337770
4-[2-(2-methoxyphenyl)ethyl]-1-[2-(4-methoxyphenyl)ethyl]piperidine
CID 127043268
[1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-yl]-(4-fluorophenyl)methanone
CID 14551556

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)ethyl]-4-(2-methoxyphenyl)sulfanylpiperidine;hydrochloride?
The IUPAC name of 1-[2-(4-fluorophenyl)ethyl]-4-(2-methoxyphenyl)sulfanylpiperidine;hydrochloride (CID 141037033) is 1-[2-(4-fluorophenyl)ethyl]-4-(2-methoxyphenyl)sulfanylpiperidine;hydrochloride.
What is the SMILES notation for 1-[2-(4-fluorophenyl)ethyl]-4-(2-methoxyphenyl)sulfanylpiperidine;hydrochloride?
The canonical SMILES for 1-[2-(4-fluorophenyl)ethyl]-4-(2-methoxyphenyl)sulfanylpiperidine;hydrochloride is COc1ccccc1SC1CCN(CCc2ccc(F)cc2)CC1.Cl.
What is the InChIKey of 1-[2-(4-fluorophenyl)ethyl]-4-(2-methoxyphenyl)sulfanylpiperidine;hydrochloride?
The InChIKey is DRVKYHPBDOXVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNOS.ClH/c1-23-19-4-2-3-5-20(19)24-18-11-14-22(15-12-18)13-10-16-6-8-17(21)9-7-16;/h2-9,18H,10-15H2,1H3;1H.
What are the key properties of 1-[2-(4-fluorophenyl)ethyl]-4-(2-methoxyphenyl)sulfanylpiperidine;hydrochloride?
1-[2-(4-fluorophenyl)ethyl]-4-(2-methoxyphenyl)sulfanylpiperidine;hydrochloride has a molecular weight of 381.94 g/mol, XLogP of 5.06, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)ethyl]-4-(2-methoxyphenyl)sulfanylpiperidine;hydrochloride is sourced from PubChem (CID 141037033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).