N-[4-(difluoromethylsulfanyl)phenyl]-1-propylpiperidin-4-amine

C15H22F2N2S — CID 43673068

IUPACN-[4-(difluoromethylsulfanyl)phenyl]-1-propylpiperidin-4-amine
SMILESCCCN1CCC(Nc2ccc(SC(F)F)cc2)CC1
InChIInChI=1S/C15H22F2N2S/c1-2-9-19-10-7-13(8-11-19)18-12-3-5-14(6-4-12)20-15(16)17/h3-6,13,15,18H,2,7-11H2,1H3
InChIKeyBBIOSJQRAVLLKB-UHFFFAOYSA-N
MW300.42 g/mol
LogP4.29
Rot. Bonds6

About N-[4-(difluoromethylsulfanyl)phenyl]-1-propylpiperidin-4-amine

N-[4-(difluoromethylsulfanyl)phenyl]-1-propylpiperidin-4-amine (PubChem CID 43673068) has the molecular formula C15H22F2N2S and a molecular weight of 300.42 g/mol. Its IUPAC name is N-[4-(difluoromethylsulfanyl)phenyl]-1-propylpiperidin-4-amine.

Molecular Properties

Compound NameN-[4-(difluoromethylsulfanyl)phenyl]-1-propylpiperidin-4-amine
PubChem CID43673068
Molecular FormulaC15H22F2N2S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC NameN-[4-(difluoromethylsulfanyl)phenyl]-1-propylpiperidin-4-amine
SMILESCCCN1CCC(Nc2ccc(SC(F)F)cc2)CC1
InChIInChI=1S/C15H22F2N2S/c1-2-9-19-10-7-13(8-11-19)18-12-3-5-14(6-4-12)20-15(16)17/h3-6,13,15,18H,2,7-11H2,1H3
InChIKeyBBIOSJQRAVLLKB-UHFFFAOYSA-N
XLogP4.29
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[4-(difluoromethylsulfanyl)anilino]piperidin-1-yl]ethanone
CID 43779000
N-[4-[(1-propylpiperidin-4-yl)amino]phenyl]propanamide
CID 43720611
N-methyl-4-[(1-propylpiperidin-4-yl)amino]benzamide
CID 43683597
1-propyl-N-thiophen-3-ylpiperidin-4-amine
CID 66352075
5-N-(1-propylpiperidin-4-yl)pyridine-2,5-diamine
CID 54963421
N-(4-methylsulfonylphenyl)-1-propylazepan-4-amine
CID 65072534
5-fluoro-3-N-(1-propylpiperidin-4-yl)benzene-1,3-diamine
CID 54963571
N-(3,5-dichloro-4-fluorophenyl)-1-propylpiperidin-4-amine
CID 107572762
N-(3-fluoro-4-methylphenyl)-1-propylazepan-4-amine
CID 65072540
1-propyl-N-[4-(tetrazol-1-yl)phenyl]piperidin-4-amine
CID 28621696
N-(3-bromo-4-fluorophenyl)-1-propylazepan-4-amine
CID 104775951
N-(4-bromo-3,5-dimethylphenyl)-1-propylpiperidin-4-amine
CID 107572074

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-1-propylpiperidin-4-amine?
The IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-1-propylpiperidin-4-amine (CID 43673068) is N-[4-(difluoromethylsulfanyl)phenyl]-1-propylpiperidin-4-amine.
What is the SMILES notation for N-[4-(difluoromethylsulfanyl)phenyl]-1-propylpiperidin-4-amine?
The canonical SMILES for N-[4-(difluoromethylsulfanyl)phenyl]-1-propylpiperidin-4-amine is CCCN1CCC(Nc2ccc(SC(F)F)cc2)CC1.
What is the InChIKey of N-[4-(difluoromethylsulfanyl)phenyl]-1-propylpiperidin-4-amine?
The InChIKey is BBIOSJQRAVLLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2S/c1-2-9-19-10-7-13(8-11-19)18-12-3-5-14(6-4-12)20-15(16)17/h3-6,13,15,18H,2,7-11H2,1H3.
What are the key properties of N-[4-(difluoromethylsulfanyl)phenyl]-1-propylpiperidin-4-amine?
N-[4-(difluoromethylsulfanyl)phenyl]-1-propylpiperidin-4-amine has a molecular weight of 300.42 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethylsulfanyl)phenyl]-1-propylpiperidin-4-amine is sourced from PubChem (CID 43673068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).