1-[(2-fluorophenyl)methyl]-4-(1-propylsulfonylpiperidin-4-yl)piperidine

C20H31FN2O2S — CID 155495769

IUPAC1-[(2-fluorophenyl)methyl]-4-(1-propylsulfonylpiperidin-4-yl)piperidine
SMILESCCCS(=O)(=O)N1CCC(C2CCN(Cc3ccccc3F)CC2)CC1
InChIInChI=1S/C20H31FN2O2S/c1-2-15-26(24,25)23-13-9-18(10-14-23)17-7-11-22(12-8-17)16-19-5-3-4-6-20(19)21/h3-6,17-18H,2,7-16H2,1H3
InChIKeySSZYOYMWSFHJGK-UHFFFAOYSA-N
MW382.55 g/mol
LogP3.49
Rot. Bonds6

About 1-[(2-fluorophenyl)methyl]-4-(1-propylsulfonylpiperidin-4-yl)piperidine

1-[(2-fluorophenyl)methyl]-4-(1-propylsulfonylpiperidin-4-yl)piperidine (PubChem CID 155495769) has the molecular formula C20H31FN2O2S and a molecular weight of 382.55 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-4-(1-propylsulfonylpiperidin-4-yl)piperidine.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-4-(1-propylsulfonylpiperidin-4-yl)piperidine
PubChem CID155495769
Molecular FormulaC20H31FN2O2S
Molecular Weight382.55 g/mol
Exact Mass382.21
IUPAC Name1-[(2-fluorophenyl)methyl]-4-(1-propylsulfonylpiperidin-4-yl)piperidine
SMILESCCCS(=O)(=O)N1CCC(C2CCN(Cc3ccccc3F)CC2)CC1
InChIInChI=1S/C20H31FN2O2S/c1-2-15-26(24,25)23-13-9-18(10-14-23)17-7-11-22(12-8-17)16-19-5-3-4-6-20(19)21/h3-6,17-18H,2,7-16H2,1H3
InChIKeySSZYOYMWSFHJGK-UHFFFAOYSA-N
XLogP3.49
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.55
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-fluorophenyl)ethyl]-1-propylsulfonylpiperidine-4-carboxamide
CID 113004651
1-[(2-methylphenyl)methyl]-4-propylsulfonylpiperazine;oxalic acid
CID 90483955
1-[(2-bromophenyl)methyl]-4-propylsulfonylpiperazine;oxalic acid
CID 2901091
1-[(2,3-difluorophenyl)methyl]-4-[(3R)-1-methylsulfonylpyrrolidin-3-yl]piperidine
CID 42392649
oxalic acid;1-propylsulfonyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine
CID 653633
1-[(2-fluorophenyl)methyl]piperidin-4-ol
CID 10242192
4-chloro-1-[(2-fluorophenyl)methyl]piperidine
CID 63389364
(2R)-N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-2-methylsulfonylpropanamide
CID 94797005
1-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]-4-propylsulfonylpiperazine
CID 55573570
1-[(4-fluorophenyl)methyl]-4-propylsulfonylpiperazine
CID 770688
1-[(2-fluorophenyl)methyl]-4-(2-fluorophenyl)sulfonylpiperazine
CID 8749281
1-ethyl-2-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(1-propylsulfonylpiperidin-4-yl)guanidine
CID 111990315

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-4-(1-propylsulfonylpiperidin-4-yl)piperidine?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-4-(1-propylsulfonylpiperidin-4-yl)piperidine (CID 155495769) is 1-[(2-fluorophenyl)methyl]-4-(1-propylsulfonylpiperidin-4-yl)piperidine.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-4-(1-propylsulfonylpiperidin-4-yl)piperidine?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-4-(1-propylsulfonylpiperidin-4-yl)piperidine is CCCS(=O)(=O)N1CCC(C2CCN(Cc3ccccc3F)CC2)CC1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-4-(1-propylsulfonylpiperidin-4-yl)piperidine?
The InChIKey is SSZYOYMWSFHJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31FN2O2S/c1-2-15-26(24,25)23-13-9-18(10-14-23)17-7-11-22(12-8-17)16-19-5-3-4-6-20(19)21/h3-6,17-18H,2,7-16H2,1H3.
What are the key properties of 1-[(2-fluorophenyl)methyl]-4-(1-propylsulfonylpiperidin-4-yl)piperidine?
1-[(2-fluorophenyl)methyl]-4-(1-propylsulfonylpiperidin-4-yl)piperidine has a molecular weight of 382.55 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-4-(1-propylsulfonylpiperidin-4-yl)piperidine is sourced from PubChem (CID 155495769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).