2-chloro-6-methoxy-4-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]phenol

C19H23ClN2O3 — CID 56885233

IUPAC2-chloro-6-methoxy-4-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]phenol
SMILESCOc1cc(CN2CCCC(OCc3cccnc3)C2)cc(Cl)c1O
InChIInChI=1S/C19H23ClN2O3/c1-24-18-9-15(8-17(20)19(18)23)11-22-7-3-5-16(12-22)25-13-14-4-2-6-21-10-14/h2,4,6,8-10,16,23H,3,5,7,11-13H2,1H3
InChIKeyCQJHHOYWUFCXHQ-UHFFFAOYSA-N
MW362.86 g/mol
LogP3.63
Rot. Bonds6

About 2-chloro-6-methoxy-4-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]phenol

2-chloro-6-methoxy-4-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]phenol (PubChem CID 56885233) has the molecular formula C19H23ClN2O3 and a molecular weight of 362.86 g/mol. Its IUPAC name is 2-chloro-6-methoxy-4-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]phenol.

Molecular Properties

Compound Name2-chloro-6-methoxy-4-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]phenol
PubChem CID56885233
Molecular FormulaC19H23ClN2O3
Molecular Weight362.86 g/mol
Exact Mass362.14
IUPAC Name2-chloro-6-methoxy-4-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]phenol
SMILESCOc1cc(CN2CCCC(OCc3cccnc3)C2)cc(Cl)c1O
InChIInChI=1S/C19H23ClN2O3/c1-24-18-9-15(8-17(20)19(18)23)11-22-7-3-5-16(12-22)25-13-14-4-2-6-21-10-14/h2,4,6,8-10,16,23H,3,5,7,11-13H2,1H3
InChIKeyCQJHHOYWUFCXHQ-UHFFFAOYSA-N
XLogP3.63
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-chloro-6-methoxy-4-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]phenol with MolForge

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Related Compounds

3-[[1-[(2-fluoro-4,5-dimethoxyphenyl)methyl]piperidin-3-yl]oxymethyl]pyridine
CID 77093463
N,N-dimethyl-5-[[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]pyridin-2-amine
CID 95714836
3-[[(3S)-1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-3-yl]oxymethyl]pyridine
CID 95722499
4-chloro-1-methyl-3-[[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]indazole
CID 95714091
2-[4-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]phenyl]pyridine
CID 56909379
5-[[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-2,1,3-benzothiadiazole
CID 95714362
5-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-2,1,3-benzoxadiazole
CID 56907304
2-chloro-4-[[3-(dimethylamino)piperidin-1-yl]methyl]-6-methoxyphenol
CID 82983112
4-chloro-N,N-dimethyl-5-[[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 95718512
2-(6-chloro-1,3-benzodioxol-5-yl)-5-methyl-4-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-1,3-oxazole
CID 45213463
3-[[1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]piperidin-3-yl]oxymethyl]pyridine
CID 56913051
5-methyl-3-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-1H-indole
CID 56711543

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methoxy-4-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]phenol?
The IUPAC name of 2-chloro-6-methoxy-4-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]phenol (CID 56885233) is 2-chloro-6-methoxy-4-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]phenol.
What is the SMILES notation for 2-chloro-6-methoxy-4-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]phenol?
The canonical SMILES for 2-chloro-6-methoxy-4-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]phenol is COc1cc(CN2CCCC(OCc3cccnc3)C2)cc(Cl)c1O.
What is the InChIKey of 2-chloro-6-methoxy-4-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]phenol?
The InChIKey is CQJHHOYWUFCXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3/c1-24-18-9-15(8-17(20)19(18)23)11-22-7-3-5-16(12-22)25-13-14-4-2-6-21-10-14/h2,4,6,8-10,16,23H,3,5,7,11-13H2,1H3.
What are the key properties of 2-chloro-6-methoxy-4-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]phenol?
2-chloro-6-methoxy-4-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]phenol has a molecular weight of 362.86 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methoxy-4-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]phenol is sourced from PubChem (CID 56885233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).