(3S)-3-[[4-chloro-2-(2-fluoro-6-methoxyphenoxy)phenoxy]methyl]piperidine

C19H21ClFNO3 — CID 24774735

IUPAC(3S)-3-[[4-chloro-2-(2-fluoro-6-methoxyphenoxy)phenoxy]methyl]piperidine
SMILESCOc1cccc(F)c1Oc1cc(Cl)ccc1OC[C@H]1CCCNC1
InChIInChI=1S/C19H21ClFNO3/c1-23-17-6-2-5-15(21)19(17)25-18-10-14(20)7-8-16(18)24-12-13-4-3-9-22-11-13/h2,5-8,10,13,22H,3-4,9,11-12H2,1H3/t13-/m0/s1
InChIKeyWLSONJZMYNIZKY-ZDUSSCGKSA-N
MW365.83 g/mol
LogP4.66
Rot. Bonds6

About (3S)-3-[[4-chloro-2-(2-fluoro-6-methoxyphenoxy)phenoxy]methyl]piperidine

(3S)-3-[[4-chloro-2-(2-fluoro-6-methoxyphenoxy)phenoxy]methyl]piperidine (PubChem CID 24774735) has the molecular formula C19H21ClFNO3 and a molecular weight of 365.83 g/mol. Its IUPAC name is (3S)-3-[[4-chloro-2-(2-fluoro-6-methoxyphenoxy)phenoxy]methyl]piperidine.

Molecular Properties

Compound Name(3S)-3-[[4-chloro-2-(2-fluoro-6-methoxyphenoxy)phenoxy]methyl]piperidine
PubChem CID24774735
Molecular FormulaC19H21ClFNO3
Molecular Weight365.83 g/mol
Exact Mass365.12
IUPAC Name(3S)-3-[[4-chloro-2-(2-fluoro-6-methoxyphenoxy)phenoxy]methyl]piperidine
SMILESCOc1cccc(F)c1Oc1cc(Cl)ccc1OC[C@H]1CCCNC1
InChIInChI=1S/C19H21ClFNO3/c1-23-17-6-2-5-15(21)19(17)25-18-10-14(20)7-8-16(18)24-12-13-4-3-9-22-11-13/h2,5-8,10,13,22H,3-4,9,11-12H2,1H3/t13-/m0/s1
InChIKeyWLSONJZMYNIZKY-ZDUSSCGKSA-N
XLogP4.66
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.83
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-3-[[4-chloro-2-(2-fluoro-6-methoxyphenoxy)phenoxy]methyl]piperidine with MolForge

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Related Compounds

3-[[4-chloro-2-(2-fluoro-6-methoxyphenoxy)phenoxy]methyl]piperidine
CID 68595995
(3S)-3-[[4-chloro-2-(4-chloro-2-methoxyphenoxy)phenoxy]methyl]piperidine
CID 24774733
2-(2-fluoro-6-methoxyphenoxy)-6-methyl-3-(piperidin-3-ylmethoxy)pyridine
CID 68596012
(E)-but-2-enedioic acid;(3S)-3-[[2-(4-chloro-2-methoxyphenoxy)-4-fluorophenoxy]methyl]piperidine
CID 158543944
3-[(2,6-difluorophenoxy)methyl]piperidine
CID 81268520
(3S)-3-[(2,5-dichlorophenoxy)methyl]piperidine
CID 26190671
difluoromethane;3-[(2-fluorophenoxy)methyl]piperidine
CID 166104221
(3S)-3-[[2-fluoro-6-(2-methylpropoxy)phenoxy]methyl]piperidine
CID 68596622
(3R)-3-[(4-fluoro-2-methylphenoxy)methyl]piperidine
CID 92670023
2-(2-chloro-4-fluorophenoxy)-3-(piperidin-3-ylmethoxy)pyridine
CID 68596688
3-[(6-fluoro-2,3-dimethoxyphenyl)methyl]piperidine
CID 117386358
3-[2-(2,6-dimethoxyphenoxy)ethyl]piperidine
CID 62356017

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[4-chloro-2-(2-fluoro-6-methoxyphenoxy)phenoxy]methyl]piperidine?
The IUPAC name of (3S)-3-[[4-chloro-2-(2-fluoro-6-methoxyphenoxy)phenoxy]methyl]piperidine (CID 24774735) is (3S)-3-[[4-chloro-2-(2-fluoro-6-methoxyphenoxy)phenoxy]methyl]piperidine.
What is the SMILES notation for (3S)-3-[[4-chloro-2-(2-fluoro-6-methoxyphenoxy)phenoxy]methyl]piperidine?
The canonical SMILES for (3S)-3-[[4-chloro-2-(2-fluoro-6-methoxyphenoxy)phenoxy]methyl]piperidine is COc1cccc(F)c1Oc1cc(Cl)ccc1OC[C@H]1CCCNC1.
What is the InChIKey of (3S)-3-[[4-chloro-2-(2-fluoro-6-methoxyphenoxy)phenoxy]methyl]piperidine?
The InChIKey is WLSONJZMYNIZKY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H21ClFNO3/c1-23-17-6-2-5-15(21)19(17)25-18-10-14(20)7-8-16(18)24-12-13-4-3-9-22-11-13/h2,5-8,10,13,22H,3-4,9,11-12H2,1H3/t13-/m0/s1.
What are the key properties of (3S)-3-[[4-chloro-2-(2-fluoro-6-methoxyphenoxy)phenoxy]methyl]piperidine?
(3S)-3-[[4-chloro-2-(2-fluoro-6-methoxyphenoxy)phenoxy]methyl]piperidine has a molecular weight of 365.83 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[[4-chloro-2-(2-fluoro-6-methoxyphenoxy)phenoxy]methyl]piperidine is sourced from PubChem (CID 24774735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).