2-[[3-[[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]phenoxy]methyl]pyridine

C21H25N5O — CID 99960236

IUPAC2-[[3-[[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]phenoxy]methyl]pyridine
SMILESCc1nc([C@@H]2CCCN(Cc3cccc(OCc4ccccn4)c3)C2)n[nH]1
InChIInChI=1S/C21H25N5O/c1-16-23-21(25-24-16)18-7-5-11-26(14-18)13-17-6-4-9-20(12-17)27-15-19-8-2-3-10-22-19/h2-4,6,8-10,12,18H,5,7,11,13-15H2,1H3,(H,23,24,25)/t18-/m1/s1
InChIKeyHMCMVUYLUNOQRS-GOSISDBHSA-N
MW363.47 g/mol
LogP3.47
Rot. Bonds6

About 2-[[3-[[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]phenoxy]methyl]pyridine

2-[[3-[[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]phenoxy]methyl]pyridine (PubChem CID 99960236) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 2-[[3-[[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]phenoxy]methyl]pyridine.

Molecular Properties

Compound Name2-[[3-[[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]phenoxy]methyl]pyridine
PubChem CID99960236
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name2-[[3-[[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]phenoxy]methyl]pyridine
SMILESCc1nc([C@@H]2CCCN(Cc3cccc(OCc4ccccn4)c3)C2)n[nH]1
InChIInChI=1S/C21H25N5O/c1-16-23-21(25-24-16)18-7-5-11-26(14-18)13-17-6-4-9-20(12-17)27-15-19-8-2-3-10-22-19/h2-4,6,8-10,12,18H,5,7,11,13-15H2,1H3,(H,23,24,25)/t18-/m1/s1
InChIKeyHMCMVUYLUNOQRS-GOSISDBHSA-N
XLogP3.47
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[3-[[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]phenoxy]methyl]pyridine with MolForge

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Related Compounds

2-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 126786698
2-[4-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperazin-1-yl]pyrimidine
CID 50972913
2-[[3-[(4-piperidin-4-ylpiperidin-1-yl)methyl]phenoxy]methyl]pyridine
CID 146037998
4-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperazine-2-carboxylic acid
CID 56872361
2-[[3-[[3-(3-methoxyphenoxy)azetidin-1-yl]methyl]phenoxy]methyl]pyridine
CID 77097732
2-[(3-methylphenyl)methyl]-6-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyridine
CID 95809284
(2S)-4-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]morpholine-2-carboxylic acid
CID 125438870
1-(furan-2-ylmethyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine
CID 53192047
1-[(3-phenylmethoxyphenyl)methyl]piperidin-3-amine;hydrochloride
CID 119910073
2-[[1-[[3-(2-methylpropoxy)phenyl]methyl]pyrrolidin-3-yl]methoxymethyl]pyridine
CID 118348745
(4aS,7aS)-4-methyl-6-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 97160029
N,N,2-trimethyl-6-[(3S)-3-methyl-1-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-3-yl]pyrimidin-4-amine
CID 125010389

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]phenoxy]methyl]pyridine?
The IUPAC name of 2-[[3-[[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]phenoxy]methyl]pyridine (CID 99960236) is 2-[[3-[[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]phenoxy]methyl]pyridine.
What is the SMILES notation for 2-[[3-[[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]phenoxy]methyl]pyridine?
The canonical SMILES for 2-[[3-[[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]phenoxy]methyl]pyridine is Cc1nc([C@@H]2CCCN(Cc3cccc(OCc4ccccn4)c3)C2)n[nH]1.
What is the InChIKey of 2-[[3-[[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]phenoxy]methyl]pyridine?
The InChIKey is HMCMVUYLUNOQRS-GOSISDBHSA-N. The full InChI is InChI=1S/C21H25N5O/c1-16-23-21(25-24-16)18-7-5-11-26(14-18)13-17-6-4-9-20(12-17)27-15-19-8-2-3-10-22-19/h2-4,6,8-10,12,18H,5,7,11,13-15H2,1H3,(H,23,24,25)/t18-/m1/s1.
What are the key properties of 2-[[3-[[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]phenoxy]methyl]pyridine?
2-[[3-[[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]phenoxy]methyl]pyridine has a molecular weight of 363.47 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]phenoxy]methyl]pyridine is sourced from PubChem (CID 99960236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).