1-[(3-benzyltriazol-4-yl)methyl]-4-cyclobutyloxypiperidine

C19H26N4O — CID 136548193

IUPAC1-[(3-benzyltriazol-4-yl)methyl]-4-cyclobutyloxypiperidine
SMILESc1ccc(Cn2nncc2CN2CCC(OC3CCC3)CC2)cc1
InChIInChI=1S/C19H26N4O/c1-2-5-16(6-3-1)14-23-17(13-20-21-23)15-22-11-9-19(10-12-22)24-18-7-4-8-18/h1-3,5-6,13,18-19H,4,7-12,14-15H2
InChIKeyFOHAHTCXCXONKW-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.86
Rot. Bonds6

About 1-[(3-benzyltriazol-4-yl)methyl]-4-cyclobutyloxypiperidine

1-[(3-benzyltriazol-4-yl)methyl]-4-cyclobutyloxypiperidine (PubChem CID 136548193) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-[(3-benzyltriazol-4-yl)methyl]-4-cyclobutyloxypiperidine.

Molecular Properties

Compound Name1-[(3-benzyltriazol-4-yl)methyl]-4-cyclobutyloxypiperidine
PubChem CID136548193
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name1-[(3-benzyltriazol-4-yl)methyl]-4-cyclobutyloxypiperidine
SMILESc1ccc(Cn2nncc2CN2CCC(OC3CCC3)CC2)cc1
InChIInChI=1S/C19H26N4O/c1-2-5-16(6-3-1)14-23-17(13-20-21-23)15-22-11-9-19(10-12-22)24-18-7-4-8-18/h1-3,5-6,13,18-19H,4,7-12,14-15H2
InChIKeyFOHAHTCXCXONKW-UHFFFAOYSA-N
XLogP2.86
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-((1-Benzyl-1H-1,2,3-triazol-4-yl)methyl)-4-methylpiperazine
CID 46228070
1-[4-[[Methyl(2-phenylethyl)amino]methyl]triazol-1-yl]hexan-2-ol
CID 46863382
4-[[(3-Benzyltriazol-4-yl)methyl-methylamino]methyl]oxan-4-ol
CID 137988806
(3S)-N-[(3-ethyltriazol-4-yl)methyl]-N-(2-phenylethyl)oxolan-3-amine
CID 164634920
(2R)-4-[(2,6-difluorophenyl)methyl]-2-(triazol-1-ylmethyl)morpholine
CID 164636772
1-[(3-Benzyltriazol-4-yl)-(4-fluorophenyl)methyl]-4-cyclobutylpiperazine
CID 49833118
1-[1-(3-Benzyltriazol-4-yl)-2-(4-fluorophenyl)ethyl]-4-cyclobutylpiperazine
CID 91190991
4-[1-(3-Benzyltriazol-4-yl)-5-(4-fluorophenyl)penta-3,4-dienyl]-1-cyclobutyl-2,6-dimethylpiperazine
CID 91582591
(6S,7R)-5,6-dimethyl-7-phenyl-6,7-dihydro-4H-triazolo[1,5-a]pyrazine
CID 101729517
1-(Oxan-2-ylmethyl)-5-phenyltriazole
CID 164666926
4-({1-[1-(4-fluorobenzyl)-4-piperidinyl]-1H-1,2,3-triazol-4-yl}methyl)morpholine bis(trifluoroacetate)
CID 29211831
(3S)-1-({1-[1-(2,5-difluorobenzyl)-4-piperidinyl]-1H-1,2,3-triazol-4-yl}methyl)-3-pyrrolidinol bis(trifluoroacetate) (salt)
CID 29218092

Frequently Asked Questions

What is the IUPAC name of 1-[(3-benzyltriazol-4-yl)methyl]-4-cyclobutyloxypiperidine?
The IUPAC name of 1-[(3-benzyltriazol-4-yl)methyl]-4-cyclobutyloxypiperidine (CID 136548193) is 1-[(3-benzyltriazol-4-yl)methyl]-4-cyclobutyloxypiperidine.
What is the SMILES notation for 1-[(3-benzyltriazol-4-yl)methyl]-4-cyclobutyloxypiperidine?
The canonical SMILES for 1-[(3-benzyltriazol-4-yl)methyl]-4-cyclobutyloxypiperidine is c1ccc(Cn2nncc2CN2CCC(OC3CCC3)CC2)cc1.
What is the InChIKey of 1-[(3-benzyltriazol-4-yl)methyl]-4-cyclobutyloxypiperidine?
The InChIKey is FOHAHTCXCXONKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-2-5-16(6-3-1)14-23-17(13-20-21-23)15-22-11-9-19(10-12-22)24-18-7-4-8-18/h1-3,5-6,13,18-19H,4,7-12,14-15H2.
What are the key properties of 1-[(3-benzyltriazol-4-yl)methyl]-4-cyclobutyloxypiperidine?
1-[(3-benzyltriazol-4-yl)methyl]-4-cyclobutyloxypiperidine has a molecular weight of 326.44 g/mol, XLogP of 2.86, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-benzyltriazol-4-yl)methyl]-4-cyclobutyloxypiperidine is sourced from PubChem (CID 136548193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).