4-(3,5-difluoro-4-piperidin-4-yloxyphenyl)-1-propylsulfonylpiperidine

C19H28F2N2O3S — CID 123308070

IUPAC4-(3,5-difluoro-4-piperidin-4-yloxyphenyl)-1-propylsulfonylpiperidine
SMILESCCCS(=O)(=O)N1CCC(c2cc(F)c(OC3CCNCC3)c(F)c2)CC1
InChIInChI=1S/C19H28F2N2O3S/c1-2-11-27(24,25)23-9-5-14(6-10-23)15-12-17(20)19(18(21)13-15)26-16-3-7-22-8-4-16/h12-14,16,22H,2-11H2,1H3
InChIKeyLUNMQTJFKCPRRV-UHFFFAOYSA-N
MW402.51 g/mol
LogP3.01
Rot. Bonds6

About 4-(3,5-difluoro-4-piperidin-4-yloxyphenyl)-1-propylsulfonylpiperidine

4-(3,5-difluoro-4-piperidin-4-yloxyphenyl)-1-propylsulfonylpiperidine (PubChem CID 123308070) has the molecular formula C19H28F2N2O3S and a molecular weight of 402.51 g/mol. Its IUPAC name is 4-(3,5-difluoro-4-piperidin-4-yloxyphenyl)-1-propylsulfonylpiperidine.

Molecular Properties

Compound Name4-(3,5-difluoro-4-piperidin-4-yloxyphenyl)-1-propylsulfonylpiperidine
PubChem CID123308070
Molecular FormulaC19H28F2N2O3S
Molecular Weight402.51 g/mol
Exact Mass402.18
IUPAC Name4-(3,5-difluoro-4-piperidin-4-yloxyphenyl)-1-propylsulfonylpiperidine
SMILESCCCS(=O)(=O)N1CCC(c2cc(F)c(OC3CCNCC3)c(F)c2)CC1
InChIInChI=1S/C19H28F2N2O3S/c1-2-11-27(24,25)23-9-5-14(6-10-23)15-12-17(20)19(18(21)13-15)26-16-3-7-22-8-4-16/h12-14,16,22H,2-11H2,1H3
InChIKeyLUNMQTJFKCPRRV-UHFFFAOYSA-N
XLogP3.01
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.51
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(3,5-difluoro-4-piperidin-4-yloxyphenyl)-1-propylsulfonylpiperidine 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

4-[3,5-difluoro-4-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]oxyphenyl]-1-methylsulfonylpiperidine
CID 51348652
2-(1-propylsulfonylpiperidin-4-yl)oxypyrazine
CID 90559116
5-[[4-[2,6-difluoro-4-(1-methylsulfonylpiperidin-4-yl)phenoxy]piperidin-1-yl]methyl]-2-(trifluoromethyl)pyridine
CID 51348509
4-(3-chlorophenoxy)-1-propylsulfonylpiperidine
CID 110358892
3-(difluoromethyl)-5-[[4-[2,6-difluoro-4-(1-methylsulfonylpiperidin-4-yl)phenoxy]piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 51349074
1-ethylsulfonyl-4-(4-fluorophenoxy)piperidine
CID 110396981
4-(5-piperidin-4-ylpentoxymethyl)-1-propylsulfonylpiperidine
CID 126694239
2-piperidin-4-yloxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole
CID 67468519
1-[(2-fluorophenyl)methyl]-4-(1-propylsulfonylpiperidin-4-yl)piperidine
CID 155495769
4-(3,5-difluoro-4-methoxyphenoxy)piperidine;hydrochloride
CID 86704242
4-(2,6-difluorophenoxy)piperidine;hydrochloride
CID 170912049
[4-amino-2-(piperidin-4-ylamino)pyrimidin-5-yl]-(5-fluoro-2-methoxyphenyl)methanone;[4-amino-2-[(1-propylsulfonylpiperidin-4-yl)amino]pyrimidin-5-yl]-(5-fluoro-2-methoxyphenyl)methanone
CID 159841410

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-difluoro-4-piperidin-4-yloxyphenyl)-1-propylsulfonylpiperidine?
The IUPAC name of 4-(3,5-difluoro-4-piperidin-4-yloxyphenyl)-1-propylsulfonylpiperidine (CID 123308070) is 4-(3,5-difluoro-4-piperidin-4-yloxyphenyl)-1-propylsulfonylpiperidine.
What is the SMILES notation for 4-(3,5-difluoro-4-piperidin-4-yloxyphenyl)-1-propylsulfonylpiperidine?
The canonical SMILES for 4-(3,5-difluoro-4-piperidin-4-yloxyphenyl)-1-propylsulfonylpiperidine is CCCS(=O)(=O)N1CCC(c2cc(F)c(OC3CCNCC3)c(F)c2)CC1.
What is the InChIKey of 4-(3,5-difluoro-4-piperidin-4-yloxyphenyl)-1-propylsulfonylpiperidine?
The InChIKey is LUNMQTJFKCPRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28F2N2O3S/c1-2-11-27(24,25)23-9-5-14(6-10-23)15-12-17(20)19(18(21)13-15)26-16-3-7-22-8-4-16/h12-14,16,22H,2-11H2,1H3.
What are the key properties of 4-(3,5-difluoro-4-piperidin-4-yloxyphenyl)-1-propylsulfonylpiperidine?
4-(3,5-difluoro-4-piperidin-4-yloxyphenyl)-1-propylsulfonylpiperidine has a molecular weight of 402.51 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-difluoro-4-piperidin-4-yloxyphenyl)-1-propylsulfonylpiperidine is sourced from PubChem (CID 123308070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).