4-[3-[(3-fluorophenyl)methoxy]phenyl]sulfanylpiperidine

C18H20FNOS — CID 59862383

IUPAC4-[3-[(3-fluorophenyl)methoxy]phenyl]sulfanylpiperidine
SMILESFc1cccc(COc2cccc(SC3CCNCC3)c2)c1
InChIInChI=1S/C18H20FNOS/c19-15-4-1-3-14(11-15)13-21-16-5-2-6-18(12-16)22-17-7-9-20-10-8-17/h1-6,11-12,17,20H,7-10,13H2
InChIKeyAYGNRRUGHBHTFV-UHFFFAOYSA-N
MW317.43 g/mol
LogP4.25
Rot. Bonds5

About 4-[3-[(3-fluorophenyl)methoxy]phenyl]sulfanylpiperidine

4-[3-[(3-fluorophenyl)methoxy]phenyl]sulfanylpiperidine (PubChem CID 59862383) has the molecular formula C18H20FNOS and a molecular weight of 317.43 g/mol. Its IUPAC name is 4-[3-[(3-fluorophenyl)methoxy]phenyl]sulfanylpiperidine.

Molecular Properties

Compound Name4-[3-[(3-fluorophenyl)methoxy]phenyl]sulfanylpiperidine
PubChem CID59862383
Molecular FormulaC18H20FNOS
Molecular Weight317.43 g/mol
Exact Mass317.12
IUPAC Name4-[3-[(3-fluorophenyl)methoxy]phenyl]sulfanylpiperidine
SMILESFc1cccc(COc2cccc(SC3CCNCC3)c2)c1
InChIInChI=1S/C18H20FNOS/c19-15-4-1-3-14(11-15)13-21-16-5-2-6-18(12-16)22-17-7-9-20-10-8-17/h1-6,11-12,17,20H,7-10,13H2
InChIKeyAYGNRRUGHBHTFV-UHFFFAOYSA-N
XLogP4.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-Phenylsulfanyl-propyl)-(2-p-tolyloxy-ethyl)-amine
CID 10638052
(S)-2-[(R)-(2-Ethoxy-phenoxy)-phenyl-methyl]-morpholine
CID 11594827
Fluradoline
CID 6917740
(+/-)-2-(4''-Benzyloxyphenyl)thiomorpholin-5-one
CID 46233265
(+/-)-2-(4''-Propoxyphenyl)thiomorpholine
CID 46233267
(+/-)-2-(4'-Butoxyphenyl)thiomorpholine
CID 46233268
(+/-)-2-(4''-Benzyloxyphenyl)thiomorpholine
CID 46233269
(2S)-2-[(S)-[2-(2-fluoroethoxy)phenyl]sulfanyl-phenylmethyl]morpholine
CID 44457051
(2S)-2-[(S)-(2-methylsulfanylphenoxy)-phenylmethyl]morpholine
CID 44457059
N-methyl((3R,4R)-4-(o-tolyloxy)thiochroman-3-yl)methanamine
CID 44587385
(+/-)-2-(4'-Ethoxyphenyl)thiomorpholine
CID 46233266
(3-Phenoxy-propyl)-(2-p-tolylsulfanyl-ethyl)-amine
CID 10542345

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(3-fluorophenyl)methoxy]phenyl]sulfanylpiperidine?
The IUPAC name of 4-[3-[(3-fluorophenyl)methoxy]phenyl]sulfanylpiperidine (CID 59862383) is 4-[3-[(3-fluorophenyl)methoxy]phenyl]sulfanylpiperidine.
What is the SMILES notation for 4-[3-[(3-fluorophenyl)methoxy]phenyl]sulfanylpiperidine?
The canonical SMILES for 4-[3-[(3-fluorophenyl)methoxy]phenyl]sulfanylpiperidine is Fc1cccc(COc2cccc(SC3CCNCC3)c2)c1.
What is the InChIKey of 4-[3-[(3-fluorophenyl)methoxy]phenyl]sulfanylpiperidine?
The InChIKey is AYGNRRUGHBHTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNOS/c19-15-4-1-3-14(11-15)13-21-16-5-2-6-18(12-16)22-17-7-9-20-10-8-17/h1-6,11-12,17,20H,7-10,13H2.
What are the key properties of 4-[3-[(3-fluorophenyl)methoxy]phenyl]sulfanylpiperidine?
4-[3-[(3-fluorophenyl)methoxy]phenyl]sulfanylpiperidine has a molecular weight of 317.43 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(3-fluorophenyl)methoxy]phenyl]sulfanylpiperidine is sourced from PubChem (CID 59862383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).