2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-6-methyl-3-[[(3S)-piperidin-3-yl]methoxy]pyridine

C22H29ClN2O2 — CID 68597802

IUPAC2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-6-methyl-3-[[(3S)-piperidin-3-yl]methoxy]pyridine
SMILESCc1ccc(OC[C@H]2CCCNC2)c(Oc2cc(C)c(Cl)cc2C(C)C)n1
InChIInChI=1S/C22H29ClN2O2/c1-14(2)18-11-19(23)15(3)10-21(18)27-22-20(8-7-16(4)25-22)26-13-17-6-5-9-24-12-17/h7-8,10-11,14,17,24H,5-6,9,12-13H2,1-4H3/t17-/m0/s1
InChIKeyNGCIXUDTAWDBKK-KRWDZBQOSA-N
MW388.94 g/mol
LogP5.65
Rot. Bonds6

About 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-6-methyl-3-[[(3S)-piperidin-3-yl]methoxy]pyridine

2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-6-methyl-3-[[(3S)-piperidin-3-yl]methoxy]pyridine (PubChem CID 68597802) has the molecular formula C22H29ClN2O2 and a molecular weight of 388.94 g/mol. Its IUPAC name is 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-6-methyl-3-[[(3S)-piperidin-3-yl]methoxy]pyridine.

Molecular Properties

Compound Name2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-6-methyl-3-[[(3S)-piperidin-3-yl]methoxy]pyridine
PubChem CID68597802
Molecular FormulaC22H29ClN2O2
Molecular Weight388.94 g/mol
Exact Mass388.19
IUPAC Name2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-6-methyl-3-[[(3S)-piperidin-3-yl]methoxy]pyridine
SMILESCc1ccc(OC[C@H]2CCCNC2)c(Oc2cc(C)c(Cl)cc2C(C)C)n1
InChIInChI=1S/C22H29ClN2O2/c1-14(2)18-11-19(23)15(3)10-21(18)27-22-20(8-7-16(4)25-22)26-13-17-6-5-9-24-12-17/h7-8,10-11,14,17,24H,5-6,9,12-13H2,1-4H3/t17-/m0/s1
InChIKeyNGCIXUDTAWDBKK-KRWDZBQOSA-N
XLogP5.65
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.94
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-6-methyl-3-[[(3S)-piperidin-3-yl]methoxy]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,6-dichlorophenoxy)-6-methyl-3-(piperidin-3-ylmethoxy)pyridine
CID 68596583
2-(2-chloro-4-methoxyphenoxy)-6-methyl-3-(piperidin-3-ylmethoxy)pyridine
CID 68596172
6-methyl-3-[[(3S)-piperidin-3-yl]methoxy]-2-(2-propan-2-yloxyphenoxy)pyridine
CID 68596131
6-methyl-2-(4-methylphenoxy)-3-[[(3S)-piperidin-3-yl]methoxy]pyridine
CID 24776104
2-(2-fluoro-6-methoxyphenoxy)-6-methyl-3-(piperidin-3-ylmethoxy)pyridine
CID 68596012
(3S)-3-[(2-methyl-5-propan-2-ylphenoxy)methyl]piperidine
CID 28750110
(3R)-3-[(4-bromo-2-methylphenoxy)methyl]piperidine
CID 26190956
(3R)-3-[(4-chloro-3-methylphenoxy)methyl]piperidine
CID 28750104
2-(2-chloro-4-fluorophenoxy)-3-(piperidin-3-ylmethoxy)pyridine
CID 68596688
(3S)-3-[(4-bromo-2-propan-2-ylphenoxy)methyl]pyrrolidine
CID 86320109
(E)-but-2-enedioic acid;2-(2,3-dihydro-1H-inden-5-yloxy)-6-methyl-3-[[(3S)-piperidin-3-yl]methoxy]pyridine
CID 158492905
2-(2-methylphenoxy)-3-(piperidin-3-ylmethoxy)pyridine
CID 68595617

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-6-methyl-3-[[(3S)-piperidin-3-yl]methoxy]pyridine?
The IUPAC name of 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-6-methyl-3-[[(3S)-piperidin-3-yl]methoxy]pyridine (CID 68597802) is 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-6-methyl-3-[[(3S)-piperidin-3-yl]methoxy]pyridine.
What is the SMILES notation for 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-6-methyl-3-[[(3S)-piperidin-3-yl]methoxy]pyridine?
The canonical SMILES for 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-6-methyl-3-[[(3S)-piperidin-3-yl]methoxy]pyridine is Cc1ccc(OC[C@H]2CCCNC2)c(Oc2cc(C)c(Cl)cc2C(C)C)n1.
What is the InChIKey of 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-6-methyl-3-[[(3S)-piperidin-3-yl]methoxy]pyridine?
The InChIKey is NGCIXUDTAWDBKK-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H29ClN2O2/c1-14(2)18-11-19(23)15(3)10-21(18)27-22-20(8-7-16(4)25-22)26-13-17-6-5-9-24-12-17/h7-8,10-11,14,17,24H,5-6,9,12-13H2,1-4H3/t17-/m0/s1.
What are the key properties of 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-6-methyl-3-[[(3S)-piperidin-3-yl]methoxy]pyridine?
2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-6-methyl-3-[[(3S)-piperidin-3-yl]methoxy]pyridine has a molecular weight of 388.94 g/mol, XLogP of 5.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-6-methyl-3-[[(3S)-piperidin-3-yl]methoxy]pyridine is sourced from PubChem (CID 68597802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).