2-[[3-[(4-piperidin-4-ylpiperidin-1-yl)methyl]phenoxy]methyl]pyridine

C23H31N3O — CID 146037998

IUPAC2-[[3-[(4-piperidin-4-ylpiperidin-1-yl)methyl]phenoxy]methyl]pyridine
SMILESc1ccc(COc2cccc(CN3CCC(C4CCNCC4)CC3)c2)nc1
InChIInChI=1S/C23H31N3O/c1-2-11-25-22(5-1)18-27-23-6-3-4-19(16-23)17-26-14-9-21(10-15-26)20-7-12-24-13-8-20/h1-6,11,16,20-21,24H,7-10,12-15,17-18H2
InChIKeyQMFFSISFBXTHIS-UHFFFAOYSA-N
MW365.52 g/mol
LogP3.87
Rot. Bonds6

About 2-[[3-[(4-piperidin-4-ylpiperidin-1-yl)methyl]phenoxy]methyl]pyridine

2-[[3-[(4-piperidin-4-ylpiperidin-1-yl)methyl]phenoxy]methyl]pyridine (PubChem CID 146037998) has the molecular formula C23H31N3O and a molecular weight of 365.52 g/mol. Its IUPAC name is 2-[[3-[(4-piperidin-4-ylpiperidin-1-yl)methyl]phenoxy]methyl]pyridine.

Molecular Properties

Compound Name2-[[3-[(4-piperidin-4-ylpiperidin-1-yl)methyl]phenoxy]methyl]pyridine
PubChem CID146037998
Molecular FormulaC23H31N3O
Molecular Weight365.52 g/mol
Exact Mass365.25
IUPAC Name2-[[3-[(4-piperidin-4-ylpiperidin-1-yl)methyl]phenoxy]methyl]pyridine
SMILESc1ccc(COc2cccc(CN3CCC(C4CCNCC4)CC3)c2)nc1
InChIInChI=1S/C23H31N3O/c1-2-11-25-22(5-1)18-27-23-6-3-4-19(16-23)17-26-14-9-21(10-15-26)20-7-12-24-13-8-20/h1-6,11,16,20-21,24H,7-10,12-15,17-18H2
InChIKeyQMFFSISFBXTHIS-UHFFFAOYSA-N
XLogP3.87
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane
CID 120906669
2-[4-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperazin-1-yl]pyrimidine
CID 50972913
4-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperazine-2-carboxylic acid
CID 56872361
2-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 126786698
4-piperidin-4-yl-1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine
CID 146039698
[1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-4-yl]methanol
CID 110908637
2-[[3-[[3-(3-methoxyphenoxy)azetidin-1-yl]methyl]phenoxy]methyl]pyridine
CID 77097732
2-[[3-[[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]phenoxy]methyl]pyridine
CID 99960236
[(3S,6R)-6-(dimethylamino)-1-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]azepan-3-yl]methanol
CID 171908272
1-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-2-carboxylic acid
CID 91843758
(2S)-4-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]morpholine-2-carboxylic acid
CID 125438870
(3aS,6aR)-2-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122045263

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(4-piperidin-4-ylpiperidin-1-yl)methyl]phenoxy]methyl]pyridine?
The IUPAC name of 2-[[3-[(4-piperidin-4-ylpiperidin-1-yl)methyl]phenoxy]methyl]pyridine (CID 146037998) is 2-[[3-[(4-piperidin-4-ylpiperidin-1-yl)methyl]phenoxy]methyl]pyridine.
What is the SMILES notation for 2-[[3-[(4-piperidin-4-ylpiperidin-1-yl)methyl]phenoxy]methyl]pyridine?
The canonical SMILES for 2-[[3-[(4-piperidin-4-ylpiperidin-1-yl)methyl]phenoxy]methyl]pyridine is c1ccc(COc2cccc(CN3CCC(C4CCNCC4)CC3)c2)nc1.
What is the InChIKey of 2-[[3-[(4-piperidin-4-ylpiperidin-1-yl)methyl]phenoxy]methyl]pyridine?
The InChIKey is QMFFSISFBXTHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O/c1-2-11-25-22(5-1)18-27-23-6-3-4-19(16-23)17-26-14-9-21(10-15-26)20-7-12-24-13-8-20/h1-6,11,16,20-21,24H,7-10,12-15,17-18H2.
What are the key properties of 2-[[3-[(4-piperidin-4-ylpiperidin-1-yl)methyl]phenoxy]methyl]pyridine?
2-[[3-[(4-piperidin-4-ylpiperidin-1-yl)methyl]phenoxy]methyl]pyridine has a molecular weight of 365.52 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(4-piperidin-4-ylpiperidin-1-yl)methyl]phenoxy]methyl]pyridine is sourced from PubChem (CID 146037998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).