N-[[3-(2-fluoropropylsulfanyl)phenyl]methyl]-2-phenylpiperidin-3-amine

C21H27FN2S — CID 70202619

IUPACN-[[3-(2-fluoropropylsulfanyl)phenyl]methyl]-2-phenylpiperidin-3-amine
SMILESCC(F)CSc1cccc(CNC2CCCNC2c2ccccc2)c1
InChIInChI=1S/C21H27FN2S/c1-16(22)15-25-19-10-5-7-17(13-19)14-24-20-11-6-12-23-21(20)18-8-3-2-4-9-18/h2-5,7-10,13,16,20-21,23-24H,6,11-12,14-15H2,1H3
InChIKeyXWMUEFBJMJDSKD-UHFFFAOYSA-N
MW358.53 g/mol
LogP4.72
Rot. Bonds7

About N-[[3-(2-fluoropropylsulfanyl)phenyl]methyl]-2-phenylpiperidin-3-amine

N-[[3-(2-fluoropropylsulfanyl)phenyl]methyl]-2-phenylpiperidin-3-amine (PubChem CID 70202619) has the molecular formula C21H27FN2S and a molecular weight of 358.53 g/mol. Its IUPAC name is N-[[3-(2-fluoropropylsulfanyl)phenyl]methyl]-2-phenylpiperidin-3-amine.

Molecular Properties

Compound NameN-[[3-(2-fluoropropylsulfanyl)phenyl]methyl]-2-phenylpiperidin-3-amine
PubChem CID70202619
Molecular FormulaC21H27FN2S
Molecular Weight358.53 g/mol
Exact Mass358.19
IUPAC NameN-[[3-(2-fluoropropylsulfanyl)phenyl]methyl]-2-phenylpiperidin-3-amine
SMILESCC(F)CSc1cccc(CNC2CCCNC2c2ccccc2)c1
InChIInChI=1S/C21H27FN2S/c1-16(22)15-25-19-10-5-7-17(13-19)14-24-20-11-6-12-23-21(20)18-8-3-2-4-9-18/h2-5,7-10,13,16,20-21,23-24H,6,11-12,14-15H2,1H3
InChIKeyXWMUEFBJMJDSKD-UHFFFAOYSA-N
XLogP4.72
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-N-benzyl-2-phenylpiperidin-3-amine
CID 67754429
2-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-amine
CID 19012951
(2S,3S)-2-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-amine
CID 67819925
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine
CID 22918527
(2S,3R)-N-benzyl-2-phenylpyrrolidin-3-amine
CID 11499795
N-[(5-fluoro-2-methylsulfanylphenyl)methyl]-2-phenylpiperidin-3-amine;dihydrochloride
CID 19696673
(2S,3S)-N-(1,3-benzodioxol-5-ylmethyl)-2-phenylpiperidin-3-amine
CID 57162412
N-[[2-(difluoromethoxy)-5-(dimethylamino)phenyl]methyl]-2-phenylpiperidin-3-amine
CID 54235445
methyl 2-[4-methoxy-3-[[[(2S,3S)-2-phenylpiperidin-3-yl]amino]methyl]phenyl]propanoate
CID 57320821
(2S,3S)-2-phenyl-N-[[2-propan-2-yloxy-5-(trifluoromethoxy)phenyl]methyl]piperidin-3-amine
CID 10272852
(2R,3S)-N-[(2-chlorophenyl)methyl]-2-phenylpiperidin-3-amine
CID 54529861
1-[3-[(cyclopropylamino)methyl]phenyl]sulfanyl-3-methylbutan-2-ol
CID 114250004

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-fluoropropylsulfanyl)phenyl]methyl]-2-phenylpiperidin-3-amine?
The IUPAC name of N-[[3-(2-fluoropropylsulfanyl)phenyl]methyl]-2-phenylpiperidin-3-amine (CID 70202619) is N-[[3-(2-fluoropropylsulfanyl)phenyl]methyl]-2-phenylpiperidin-3-amine.
What is the SMILES notation for N-[[3-(2-fluoropropylsulfanyl)phenyl]methyl]-2-phenylpiperidin-3-amine?
The canonical SMILES for N-[[3-(2-fluoropropylsulfanyl)phenyl]methyl]-2-phenylpiperidin-3-amine is CC(F)CSc1cccc(CNC2CCCNC2c2ccccc2)c1.
What is the InChIKey of N-[[3-(2-fluoropropylsulfanyl)phenyl]methyl]-2-phenylpiperidin-3-amine?
The InChIKey is XWMUEFBJMJDSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN2S/c1-16(22)15-25-19-10-5-7-17(13-19)14-24-20-11-6-12-23-21(20)18-8-3-2-4-9-18/h2-5,7-10,13,16,20-21,23-24H,6,11-12,14-15H2,1H3.
What are the key properties of N-[[3-(2-fluoropropylsulfanyl)phenyl]methyl]-2-phenylpiperidin-3-amine?
N-[[3-(2-fluoropropylsulfanyl)phenyl]methyl]-2-phenylpiperidin-3-amine has a molecular weight of 358.53 g/mol, XLogP of 4.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-fluoropropylsulfanyl)phenyl]methyl]-2-phenylpiperidin-3-amine is sourced from PubChem (CID 70202619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).