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

C17H18ClFN2O2 — CID 68598179

IUPAC2-(4-chloro-3-fluorophenoxy)-3-[[(3S)-piperidin-3-yl]methoxy]pyridine
SMILESFc1cc(Oc2ncccc2OC[C@H]2CCCNC2)ccc1Cl
InChIInChI=1S/C17H18ClFN2O2/c18-14-6-5-13(9-15(14)19)23-17-16(4-2-8-21-17)22-11-12-3-1-7-20-10-12/h2,4-6,8-9,12,20H,1,3,7,10-11H2/t12-/m0/s1
InChIKeyMCOHNQOSJKTEQP-LBPRGKRZSA-N
MW336.79 g/mol
LogP4.04
Rot. Bonds5

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

2-(4-chloro-3-fluorophenoxy)-3-[[(3S)-piperidin-3-yl]methoxy]pyridine (PubChem CID 68598179) has the molecular formula C17H18ClFN2O2 and a molecular weight of 336.79 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenoxy)-3-[[(3S)-piperidin-3-yl]methoxy]pyridine.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenoxy)-3-[[(3S)-piperidin-3-yl]methoxy]pyridine
PubChem CID68598179
Molecular FormulaC17H18ClFN2O2
Molecular Weight336.79 g/mol
Exact Mass336.10
IUPAC Name2-(4-chloro-3-fluorophenoxy)-3-[[(3S)-piperidin-3-yl]methoxy]pyridine
SMILESFc1cc(Oc2ncccc2OC[C@H]2CCCNC2)ccc1Cl
InChIInChI=1S/C17H18ClFN2O2/c18-14-6-5-13(9-15(14)19)23-17-16(4-2-8-21-17)22-11-12-3-1-7-20-10-12/h2,4-6,8-9,12,20H,1,3,7,10-11H2/t12-/m0/s1
InChIKeyMCOHNQOSJKTEQP-LBPRGKRZSA-N
XLogP4.04
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.79
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-3-fluorophenoxy)-3-(piperidin-3-ylmethoxy)pyridine
CID 68595188
2-(3,4-difluorophenoxy)-3-(piperidin-3-ylmethoxy)pyridine
CID 68594813
2-(4-chlorophenoxy)-3-[[(3S)-piperidin-3-yl]methoxy]pyridine
CID 68598055
2-(2-chloro-4-fluorophenoxy)-3-(piperidin-3-ylmethoxy)pyridine
CID 68596688
2-(3-methylphenoxy)-3-(piperidin-3-ylmethoxy)pyridine
CID 68595656
(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
3-(piperidin-3-ylmethoxy)-2-(2-propan-2-yloxyphenoxy)pyridine
CID 68596079
(3R)-3-[(3,4-dichlorophenoxy)methyl]piperidine
CID 26190720
(3S)-3-[(2,5-dichlorophenoxy)methyl]piperidine
CID 26190671
3-[(2-chlorophenoxy)methyl]piperidine;hydrochloride
CID 45074918
(3S)-3-[(4-fluorophenoxy)methyl]piperidine
CID 42427122

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenoxy)-3-[[(3S)-piperidin-3-yl]methoxy]pyridine?
The IUPAC name of 2-(4-chloro-3-fluorophenoxy)-3-[[(3S)-piperidin-3-yl]methoxy]pyridine (CID 68598179) is 2-(4-chloro-3-fluorophenoxy)-3-[[(3S)-piperidin-3-yl]methoxy]pyridine.
What is the SMILES notation for 2-(4-chloro-3-fluorophenoxy)-3-[[(3S)-piperidin-3-yl]methoxy]pyridine?
The canonical SMILES for 2-(4-chloro-3-fluorophenoxy)-3-[[(3S)-piperidin-3-yl]methoxy]pyridine is Fc1cc(Oc2ncccc2OC[C@H]2CCCNC2)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-fluorophenoxy)-3-[[(3S)-piperidin-3-yl]methoxy]pyridine?
The InChIKey is MCOHNQOSJKTEQP-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H18ClFN2O2/c18-14-6-5-13(9-15(14)19)23-17-16(4-2-8-21-17)22-11-12-3-1-7-20-10-12/h2,4-6,8-9,12,20H,1,3,7,10-11H2/t12-/m0/s1.
What are the key properties of 2-(4-chloro-3-fluorophenoxy)-3-[[(3S)-piperidin-3-yl]methoxy]pyridine?
2-(4-chloro-3-fluorophenoxy)-3-[[(3S)-piperidin-3-yl]methoxy]pyridine has a molecular weight of 336.79 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenoxy)-3-[[(3S)-piperidin-3-yl]methoxy]pyridine is sourced from PubChem (CID 68598179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).