4-[[1-(2-phenylethyl)tetrazol-5-yl]-pyridin-3-ylmethyl]morpholine

C19H22N6O — CID 3229139

IUPAC4-[[1-(2-phenylethyl)tetrazol-5-yl]-pyridin-3-ylmethyl]morpholine
SMILESc1ccc(CCn2nnnc2C(c2cccnc2)N2CCOCC2)cc1
InChIInChI=1S/C19H22N6O/c1-2-5-16(6-3-1)8-10-25-19(21-22-23-25)18(17-7-4-9-20-15-17)24-11-13-26-14-12-24/h1-7,9,15,18H,8,10-14H2
InChIKeyBEDDPIGCIAGYDH-UHFFFAOYSA-N
MW350.43 g/mol
LogP1.73
Rot. Bonds6

About 4-[[1-(2-phenylethyl)tetrazol-5-yl]-pyridin-3-ylmethyl]morpholine

4-[[1-(2-phenylethyl)tetrazol-5-yl]-pyridin-3-ylmethyl]morpholine (PubChem CID 3229139) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is 4-[[1-(2-phenylethyl)tetrazol-5-yl]-pyridin-3-ylmethyl]morpholine.

Molecular Properties

Compound Name4-[[1-(2-phenylethyl)tetrazol-5-yl]-pyridin-3-ylmethyl]morpholine
PubChem CID3229139
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name4-[[1-(2-phenylethyl)tetrazol-5-yl]-pyridin-3-ylmethyl]morpholine
SMILESc1ccc(CCn2nnnc2C(c2cccnc2)N2CCOCC2)cc1
InChIInChI=1S/C19H22N6O/c1-2-5-16(6-3-1)8-10-25-19(21-22-23-25)18(17-7-4-9-20-15-17)24-11-13-26-14-12-24/h1-7,9,15,18H,8,10-14H2
InChIKeyBEDDPIGCIAGYDH-UHFFFAOYSA-N
XLogP1.73
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(R)-(4-benzylpiperidin-1-yl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]pyridine
CID 1435783
4-[(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]morpholine;hydrochloride
CID 171668621
(8aS)-2-[(R)-[1-(2-phenylethyl)tetrazol-5-yl]-pyridin-3-ylmethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 124766331
4-[(1-benzyltetrazol-5-yl)-pyridin-4-ylmethyl]morpholine
CID 648580
4-[phenyl(pyridin-3-yl)methyl]morpholine
CID 132574107
1-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-methylpiperazine;deuteriomethane
CID 167557248
7-[(S)-morpholin-4-yl-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 1454869
1-[(1-benzyltetrazol-5-yl)-(4-methylphenyl)methyl]-4-cyclohexylpiperazine;1-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-cyclohexylpiperazine;1-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-methylpiperazine;1-cyclohexyl-4-[(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine;methane;1-methyl-4-[(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine
CID 167687220
6-methyl-3-[(R)-morpholin-4-yl-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one
CID 1454854
1-[(4-chlorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-methylpiperazine;hydrochloride
CID 171668058
1-[(R)-(4-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-phenylpiperazine
CID 1449129
2-[4-[(S)-phenyl-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazin-1-yl]-1,3-benzothiazole
CID 1433997

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2-phenylethyl)tetrazol-5-yl]-pyridin-3-ylmethyl]morpholine?
The IUPAC name of 4-[[1-(2-phenylethyl)tetrazol-5-yl]-pyridin-3-ylmethyl]morpholine (CID 3229139) is 4-[[1-(2-phenylethyl)tetrazol-5-yl]-pyridin-3-ylmethyl]morpholine.
What is the SMILES notation for 4-[[1-(2-phenylethyl)tetrazol-5-yl]-pyridin-3-ylmethyl]morpholine?
The canonical SMILES for 4-[[1-(2-phenylethyl)tetrazol-5-yl]-pyridin-3-ylmethyl]morpholine is c1ccc(CCn2nnnc2C(c2cccnc2)N2CCOCC2)cc1.
What is the InChIKey of 4-[[1-(2-phenylethyl)tetrazol-5-yl]-pyridin-3-ylmethyl]morpholine?
The InChIKey is BEDDPIGCIAGYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-2-5-16(6-3-1)8-10-25-19(21-22-23-25)18(17-7-4-9-20-15-17)24-11-13-26-14-12-24/h1-7,9,15,18H,8,10-14H2.
What are the key properties of 4-[[1-(2-phenylethyl)tetrazol-5-yl]-pyridin-3-ylmethyl]morpholine?
4-[[1-(2-phenylethyl)tetrazol-5-yl]-pyridin-3-ylmethyl]morpholine has a molecular weight of 350.43 g/mol, XLogP of 1.73, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2-phenylethyl)tetrazol-5-yl]-pyridin-3-ylmethyl]morpholine is sourced from PubChem (CID 3229139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).