4-[(2R)-2-(1-phenyltetrazol-5-yl)butan-2-yl]morpholine

C15H21N5O — CID 51698124

IUPAC4-[(2R)-2-(1-phenyltetrazol-5-yl)butan-2-yl]morpholine
SMILESCC[C@](C)(c1nnnn1-c1ccccc1)N1CCOCC1
InChIInChI=1S/C15H21N5O/c1-3-15(2,19-9-11-21-12-10-19)14-16-17-18-20(14)13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3/t15-/m1/s1
InChIKeyJEPFVYPPUHPSKH-OAHLLOKOSA-N
MW287.37 g/mol
LogP1.62
Rot. Bonds4

About 4-[(2R)-2-(1-phenyltetrazol-5-yl)butan-2-yl]morpholine

4-[(2R)-2-(1-phenyltetrazol-5-yl)butan-2-yl]morpholine (PubChem CID 51698124) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 4-[(2R)-2-(1-phenyltetrazol-5-yl)butan-2-yl]morpholine.

Molecular Properties

Compound Name4-[(2R)-2-(1-phenyltetrazol-5-yl)butan-2-yl]morpholine
PubChem CID51698124
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name4-[(2R)-2-(1-phenyltetrazol-5-yl)butan-2-yl]morpholine
SMILESCC[C@](C)(c1nnnn1-c1ccccc1)N1CCOCC1
InChIInChI=1S/C15H21N5O/c1-3-15(2,19-9-11-21-12-10-19)14-16-17-18-20(14)13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3/t15-/m1/s1
InChIKeyJEPFVYPPUHPSKH-OAHLLOKOSA-N
XLogP1.62
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(2R)-2-[1-(2-methylphenyl)tetrazol-5-yl]butan-2-yl]morpholine
CID 94086648
4-[(2S)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]butan-2-yl]morpholine
CID 51695117
furan-2-yl-[4-[(2S)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]butan-2-yl]piperazin-1-yl]methanone
CID 94086673
N-methyl-2-(1-phenyltetrazol-5-yl)propan-2-amine
CID 53009736
N-[(2R)-2-(1-phenyltetrazol-5-yl)butan-2-yl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 94086664
1-phenyl-5-(trichloromethyl)tetrazole
CID 69031476
1-phenyl-5-(trifluoromethyl)tetrazole
CID 11206655
N-[(1-phenyltetrazol-5-yl)methyl]morpholin-4-amine
CID 83021922
[4-[(2S)-2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]butan-2-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 94086641
5-(1,1,2,2,2-pentafluoroethyl)-1-phenyltetrazole
CID 87664913
(4-morpholin-4-ylphenyl)-(1-phenyltetrazol-5-yl)methanamine
CID 134836088
6-ethyl-2-morpholin-4-yl-N-[(1-phenyltetrazol-5-yl)methyl]pyrimidin-4-amine
CID 135096076

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-(1-phenyltetrazol-5-yl)butan-2-yl]morpholine?
The IUPAC name of 4-[(2R)-2-(1-phenyltetrazol-5-yl)butan-2-yl]morpholine (CID 51698124) is 4-[(2R)-2-(1-phenyltetrazol-5-yl)butan-2-yl]morpholine.
What is the SMILES notation for 4-[(2R)-2-(1-phenyltetrazol-5-yl)butan-2-yl]morpholine?
The canonical SMILES for 4-[(2R)-2-(1-phenyltetrazol-5-yl)butan-2-yl]morpholine is CC[C@](C)(c1nnnn1-c1ccccc1)N1CCOCC1.
What is the InChIKey of 4-[(2R)-2-(1-phenyltetrazol-5-yl)butan-2-yl]morpholine?
The InChIKey is JEPFVYPPUHPSKH-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H21N5O/c1-3-15(2,19-9-11-21-12-10-19)14-16-17-18-20(14)13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3/t15-/m1/s1.
What are the key properties of 4-[(2R)-2-(1-phenyltetrazol-5-yl)butan-2-yl]morpholine?
4-[(2R)-2-(1-phenyltetrazol-5-yl)butan-2-yl]morpholine has a molecular weight of 287.37 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-(1-phenyltetrazol-5-yl)butan-2-yl]morpholine is sourced from PubChem (CID 51698124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).