2-(4-chlorophenoxy)-3-[[(3S)-piperidin-3-yl]methoxy]pyridine

C17H19ClN2O2 — CID 68598055

IUPAC2-(4-chlorophenoxy)-3-[[(3S)-piperidin-3-yl]methoxy]pyridine
SMILESClc1ccc(Oc2ncccc2OC[C@H]2CCCNC2)cc1
InChIInChI=1S/C17H19ClN2O2/c18-14-5-7-15(8-6-14)22-17-16(4-2-10-20-17)21-12-13-3-1-9-19-11-13/h2,4-8,10,13,19H,1,3,9,11-12H2/t13-/m0/s1
InChIKeyZEYHMJXQGXZENW-ZDUSSCGKSA-N
MW318.80 g/mol
LogP3.91
Rot. Bonds5

About 2-(4-chlorophenoxy)-3-[[(3S)-piperidin-3-yl]methoxy]pyridine

2-(4-chlorophenoxy)-3-[[(3S)-piperidin-3-yl]methoxy]pyridine (PubChem CID 68598055) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-3-[[(3S)-piperidin-3-yl]methoxy]pyridine.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-3-[[(3S)-piperidin-3-yl]methoxy]pyridine
PubChem CID68598055
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name2-(4-chlorophenoxy)-3-[[(3S)-piperidin-3-yl]methoxy]pyridine
SMILESClc1ccc(Oc2ncccc2OC[C@H]2CCCNC2)cc1
InChIInChI=1S/C17H19ClN2O2/c18-14-5-7-15(8-6-14)22-17-16(4-2-10-20-17)21-12-13-3-1-9-19-11-13/h2,4-8,10,13,19H,1,3,9,11-12H2/t13-/m0/s1
InChIKeyZEYHMJXQGXZENW-ZDUSSCGKSA-N
XLogP3.91
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-difluorophenoxy)-3-(piperidin-3-ylmethoxy)pyridine
CID 68594813
2-(4-chloro-3-fluorophenoxy)-3-(piperidin-3-ylmethoxy)pyridine
CID 68595188
2-(4-chloro-3-fluorophenoxy)-3-[[(3S)-piperidin-3-yl]methoxy]pyridine
CID 68598179
(E)-but-2-enedioic acid;2-(4-fluorophenoxy)-3-[[(3R)-piperidin-3-yl]methoxy]pyridine
CID 158102057
2-(2-methylphenoxy)-3-(piperidin-3-ylmethoxy)pyridine
CID 68595617
2-(3-methylphenoxy)-3-(piperidin-3-ylmethoxy)pyridine
CID 68595656
2-(2-chloro-4-fluorophenoxy)-3-(piperidin-3-ylmethoxy)pyridine
CID 68596688
3-(piperidin-3-ylmethoxy)-2-(2-propan-2-yloxyphenoxy)pyridine
CID 68596079
3-[[4-(4-chlorophenyl)phenoxy]methyl]piperidine
CID 58992633
6-methyl-2-(4-methylphenoxy)-3-[[(3S)-piperidin-3-yl]methoxy]pyridine
CID 24776104
3-[(2-chlorophenoxy)methyl]piperidine;hydrochloride
CID 45074918
8-(piperidin-3-ylmethoxy)quinoline;dihydrochloride
CID 66523926

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-3-[[(3S)-piperidin-3-yl]methoxy]pyridine?
The IUPAC name of 2-(4-chlorophenoxy)-3-[[(3S)-piperidin-3-yl]methoxy]pyridine (CID 68598055) is 2-(4-chlorophenoxy)-3-[[(3S)-piperidin-3-yl]methoxy]pyridine.
What is the SMILES notation for 2-(4-chlorophenoxy)-3-[[(3S)-piperidin-3-yl]methoxy]pyridine?
The canonical SMILES for 2-(4-chlorophenoxy)-3-[[(3S)-piperidin-3-yl]methoxy]pyridine is Clc1ccc(Oc2ncccc2OC[C@H]2CCCNC2)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-3-[[(3S)-piperidin-3-yl]methoxy]pyridine?
The InChIKey is ZEYHMJXQGXZENW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c18-14-5-7-15(8-6-14)22-17-16(4-2-10-20-17)21-12-13-3-1-9-19-11-13/h2,4-8,10,13,19H,1,3,9,11-12H2/t13-/m0/s1.
What are the key properties of 2-(4-chlorophenoxy)-3-[[(3S)-piperidin-3-yl]methoxy]pyridine?
2-(4-chlorophenoxy)-3-[[(3S)-piperidin-3-yl]methoxy]pyridine has a molecular weight of 318.80 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-3-[[(3S)-piperidin-3-yl]methoxy]pyridine is sourced from PubChem (CID 68598055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).