(2S,6R)-4-[(1-benzyltetrazol-5-yl)methyl]-2,6-dimethylmorpholine

C15H21N5O — CID 94017565

IUPAC(2S,6R)-4-[(1-benzyltetrazol-5-yl)methyl]-2,6-dimethylmorpholine
SMILESC[C@@H]1CN(Cc2nnnn2Cc2ccccc2)C[C@H](C)O1
InChIInChI=1S/C15H21N5O/c1-12-8-19(9-13(2)21-12)11-15-16-17-18-20(15)10-14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3/t12-,13+
InChIKeyBKAMCGZCABHTJP-BETUJISGSA-N
MW287.37 g/mol
LogP1.33
Rot. Bonds4

About (2S,6R)-4-[(1-benzyltetrazol-5-yl)methyl]-2,6-dimethylmorpholine

(2S,6R)-4-[(1-benzyltetrazol-5-yl)methyl]-2,6-dimethylmorpholine (PubChem CID 94017565) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is (2S,6R)-4-[(1-benzyltetrazol-5-yl)methyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2S,6R)-4-[(1-benzyltetrazol-5-yl)methyl]-2,6-dimethylmorpholine
PubChem CID94017565
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name(2S,6R)-4-[(1-benzyltetrazol-5-yl)methyl]-2,6-dimethylmorpholine
SMILESC[C@@H]1CN(Cc2nnnn2Cc2ccccc2)C[C@H](C)O1
InChIInChI=1S/C15H21N5O/c1-12-8-19(9-13(2)21-12)11-15-16-17-18-20(15)10-14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3/t12-,13+
InChIKeyBKAMCGZCABHTJP-BETUJISGSA-N
XLogP1.33
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 ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S,6R)-4-[(1-benzyltetrazol-5-yl)methyl]-2,6-dimethylmorpholine?
The IUPAC name of (2S,6R)-4-[(1-benzyltetrazol-5-yl)methyl]-2,6-dimethylmorpholine (CID 94017565) is (2S,6R)-4-[(1-benzyltetrazol-5-yl)methyl]-2,6-dimethylmorpholine.
What is the SMILES notation for (2S,6R)-4-[(1-benzyltetrazol-5-yl)methyl]-2,6-dimethylmorpholine?
The canonical SMILES for (2S,6R)-4-[(1-benzyltetrazol-5-yl)methyl]-2,6-dimethylmorpholine is C[C@@H]1CN(Cc2nnnn2Cc2ccccc2)C[C@H](C)O1.
What is the InChIKey of (2S,6R)-4-[(1-benzyltetrazol-5-yl)methyl]-2,6-dimethylmorpholine?
The InChIKey is BKAMCGZCABHTJP-BETUJISGSA-N. The full InChI is InChI=1S/C15H21N5O/c1-12-8-19(9-13(2)21-12)11-15-16-17-18-20(15)10-14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3/t12-,13+.
What are the key properties of (2S,6R)-4-[(1-benzyltetrazol-5-yl)methyl]-2,6-dimethylmorpholine?
(2S,6R)-4-[(1-benzyltetrazol-5-yl)methyl]-2,6-dimethylmorpholine has a molecular weight of 287.37 g/mol, XLogP of 1.33, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-4-[(1-benzyltetrazol-5-yl)methyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 94017565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).