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

C19H21Cl2NO3 — CID 24774733

IUPAC(3S)-3-[[4-chloro-2-(4-chloro-2-methoxyphenoxy)phenoxy]methyl]piperidine
SMILESCOc1cc(Cl)ccc1Oc1cc(Cl)ccc1OC[C@H]1CCCNC1
InChIInChI=1S/C19H21Cl2NO3/c1-23-18-9-14(20)5-7-17(18)25-19-10-15(21)4-6-16(19)24-12-13-3-2-8-22-11-13/h4-7,9-10,13,22H,2-3,8,11-12H2,1H3/t13-/m0/s1
InChIKeyUNRKDQGIVDAFSE-ZDUSSCGKSA-N
MW382.29 g/mol
LogP5.17
Rot. Bonds6

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

(3S)-3-[[4-chloro-2-(4-chloro-2-methoxyphenoxy)phenoxy]methyl]piperidine (PubChem CID 24774733) has the molecular formula C19H21Cl2NO3 and a molecular weight of 382.29 g/mol. Its IUPAC name is (3S)-3-[[4-chloro-2-(4-chloro-2-methoxyphenoxy)phenoxy]methyl]piperidine.

Molecular Properties

Compound Name(3S)-3-[[4-chloro-2-(4-chloro-2-methoxyphenoxy)phenoxy]methyl]piperidine
PubChem CID24774733
Molecular FormulaC19H21Cl2NO3
Molecular Weight382.29 g/mol
Exact Mass381.09
IUPAC Name(3S)-3-[[4-chloro-2-(4-chloro-2-methoxyphenoxy)phenoxy]methyl]piperidine
SMILESCOc1cc(Cl)ccc1Oc1cc(Cl)ccc1OC[C@H]1CCCNC1
InChIInChI=1S/C19H21Cl2NO3/c1-23-18-9-14(20)5-7-17(18)25-19-10-15(21)4-6-16(19)24-12-13-3-2-8-22-11-13/h4-7,9-10,13,22H,2-3,8,11-12H2,1H3/t13-/m0/s1
InChIKeyUNRKDQGIVDAFSE-ZDUSSCGKSA-N
XLogP5.17
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.29
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

(E)-but-2-enedioic acid;(3S)-3-[[2-(4-chloro-2-methoxyphenoxy)-4-fluorophenoxy]methyl]piperidine
CID 158543944
3-[[4-chloro-2-(2-fluoro-6-methoxyphenoxy)phenoxy]methyl]piperidine
CID 68595995
(3S)-3-[[4-chloro-2-(2-fluoro-6-methoxyphenoxy)phenoxy]methyl]piperidine
CID 24774735
(3S)-3-[(2,5-dichlorophenoxy)methyl]piperidine
CID 26190671
(3S)-3-[(2,4-dichlorophenoxy)methyl]pyrrolidine
CID 86320973
4-methoxy-3-(piperidin-3-ylmethoxy)benzoic acid
CID 117053837
2-(2-chloro-4-methoxyphenoxy)-6-methyl-3-(piperidin-3-ylmethoxy)pyridine
CID 68596172
(3R)-3-[(2-tert-butyl-4-chlorophenoxy)methyl]pyrrolidine
CID 86320408
(4S)-N-(4-chloro-2-fluorophenyl)-6-methoxy-7-[[(3S)-piperidin-3-yl]methoxy]-1,4-dihydroquinazolin-4-amine
CID 90742206
3-[[4-(4-chlorophenyl)phenoxy]methyl]piperidine
CID 58992633
3-[(2-chlorophenoxy)methyl]piperidine;hydrochloride
CID 45074918
(3S)-3-(5-chloro-2-methoxyphenyl)piperidine
CID 94259889

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[4-chloro-2-(4-chloro-2-methoxyphenoxy)phenoxy]methyl]piperidine?
The IUPAC name of (3S)-3-[[4-chloro-2-(4-chloro-2-methoxyphenoxy)phenoxy]methyl]piperidine (CID 24774733) is (3S)-3-[[4-chloro-2-(4-chloro-2-methoxyphenoxy)phenoxy]methyl]piperidine.
What is the SMILES notation for (3S)-3-[[4-chloro-2-(4-chloro-2-methoxyphenoxy)phenoxy]methyl]piperidine?
The canonical SMILES for (3S)-3-[[4-chloro-2-(4-chloro-2-methoxyphenoxy)phenoxy]methyl]piperidine is COc1cc(Cl)ccc1Oc1cc(Cl)ccc1OC[C@H]1CCCNC1.
What is the InChIKey of (3S)-3-[[4-chloro-2-(4-chloro-2-methoxyphenoxy)phenoxy]methyl]piperidine?
The InChIKey is UNRKDQGIVDAFSE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H21Cl2NO3/c1-23-18-9-14(20)5-7-17(18)25-19-10-15(21)4-6-16(19)24-12-13-3-2-8-22-11-13/h4-7,9-10,13,22H,2-3,8,11-12H2,1H3/t13-/m0/s1.
What are the key properties of (3S)-3-[[4-chloro-2-(4-chloro-2-methoxyphenoxy)phenoxy]methyl]piperidine?
(3S)-3-[[4-chloro-2-(4-chloro-2-methoxyphenoxy)phenoxy]methyl]piperidine has a molecular weight of 382.29 g/mol, XLogP of 5.17, 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-(4-chloro-2-methoxyphenoxy)phenoxy]methyl]piperidine is sourced from PubChem (CID 24774733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).