6-methyl-3-[[(3S)-piperidin-3-yl]methoxy]-2-(2-propan-2-yloxyphenoxy)pyridine

C21H28N2O3 — CID 68596131

IUPAC6-methyl-3-[[(3S)-piperidin-3-yl]methoxy]-2-(2-propan-2-yloxyphenoxy)pyridine
SMILESCc1ccc(OC[C@H]2CCCNC2)c(Oc2ccccc2OC(C)C)n1
InChIInChI=1S/C21H28N2O3/c1-15(2)25-18-8-4-5-9-19(18)26-21-20(11-10-16(3)23-21)24-14-17-7-6-12-22-13-17/h4-5,8-11,15,17,22H,6-7,12-14H2,1-3H3/t17-/m0/s1
InChIKeyKJAZPSMLMBKRFW-KRWDZBQOSA-N
MW356.47 g/mol
LogP4.35
Rot. Bonds7

About 6-methyl-3-[[(3S)-piperidin-3-yl]methoxy]-2-(2-propan-2-yloxyphenoxy)pyridine

6-methyl-3-[[(3S)-piperidin-3-yl]methoxy]-2-(2-propan-2-yloxyphenoxy)pyridine (PubChem CID 68596131) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is 6-methyl-3-[[(3S)-piperidin-3-yl]methoxy]-2-(2-propan-2-yloxyphenoxy)pyridine.

Molecular Properties

Compound Name6-methyl-3-[[(3S)-piperidin-3-yl]methoxy]-2-(2-propan-2-yloxyphenoxy)pyridine
PubChem CID68596131
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name6-methyl-3-[[(3S)-piperidin-3-yl]methoxy]-2-(2-propan-2-yloxyphenoxy)pyridine
SMILESCc1ccc(OC[C@H]2CCCNC2)c(Oc2ccccc2OC(C)C)n1
InChIInChI=1S/C21H28N2O3/c1-15(2)25-18-8-4-5-9-19(18)26-21-20(11-10-16(3)23-21)24-14-17-7-6-12-22-13-17/h4-5,8-11,15,17,22H,6-7,12-14H2,1-3H3/t17-/m0/s1
InChIKeyKJAZPSMLMBKRFW-KRWDZBQOSA-N
XLogP4.35
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(piperidin-3-ylmethoxy)-2-(2-propan-2-yloxyphenoxy)pyridine
CID 68596079
6-methyl-2-(4-methylphenoxy)-3-[[(3S)-piperidin-3-yl]methoxy]pyridine
CID 24776104
2-(2,6-dichlorophenoxy)-6-methyl-3-(piperidin-3-ylmethoxy)pyridine
CID 68596583
(E)-but-2-enedioic acid;3-[[(3S)-piperidin-3-yl]methoxy]-2-(2-propan-2-yloxyphenoxy)pyridine
CID 158162824
2-(2-fluoro-6-methoxyphenoxy)-6-methyl-3-(piperidin-3-ylmethoxy)pyridine
CID 68596012
2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-6-methyl-3-[[(3S)-piperidin-3-yl]methoxy]pyridine
CID 68597802
2-(2-chloro-4-methoxyphenoxy)-6-methyl-3-(piperidin-3-ylmethoxy)pyridine
CID 68596172
2-(2-methylphenoxy)-3-(piperidin-3-ylmethoxy)pyridine
CID 68595617
3-[(2-methylphenoxy)methyl]piperidine
CID 18524094
3-[[2-(2-methylpropoxy)phenoxy]methyl]piperidine
CID 68596368
(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-ethoxy-3-(piperidin-3-ylmethoxy)quinoxaline
CID 71639733

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[[(3S)-piperidin-3-yl]methoxy]-2-(2-propan-2-yloxyphenoxy)pyridine?
The IUPAC name of 6-methyl-3-[[(3S)-piperidin-3-yl]methoxy]-2-(2-propan-2-yloxyphenoxy)pyridine (CID 68596131) is 6-methyl-3-[[(3S)-piperidin-3-yl]methoxy]-2-(2-propan-2-yloxyphenoxy)pyridine.
What is the SMILES notation for 6-methyl-3-[[(3S)-piperidin-3-yl]methoxy]-2-(2-propan-2-yloxyphenoxy)pyridine?
The canonical SMILES for 6-methyl-3-[[(3S)-piperidin-3-yl]methoxy]-2-(2-propan-2-yloxyphenoxy)pyridine is Cc1ccc(OC[C@H]2CCCNC2)c(Oc2ccccc2OC(C)C)n1.
What is the InChIKey of 6-methyl-3-[[(3S)-piperidin-3-yl]methoxy]-2-(2-propan-2-yloxyphenoxy)pyridine?
The InChIKey is KJAZPSMLMBKRFW-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-15(2)25-18-8-4-5-9-19(18)26-21-20(11-10-16(3)23-21)24-14-17-7-6-12-22-13-17/h4-5,8-11,15,17,22H,6-7,12-14H2,1-3H3/t17-/m0/s1.
What are the key properties of 6-methyl-3-[[(3S)-piperidin-3-yl]methoxy]-2-(2-propan-2-yloxyphenoxy)pyridine?
6-methyl-3-[[(3S)-piperidin-3-yl]methoxy]-2-(2-propan-2-yloxyphenoxy)pyridine has a molecular weight of 356.47 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[[(3S)-piperidin-3-yl]methoxy]-2-(2-propan-2-yloxyphenoxy)pyridine is sourced from PubChem (CID 68596131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).