4-[2-[4-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propyl]piperazin-1-yl]ethyl]morpholine

C22H35N7O — CID 53301008

IUPAC4-[2-[4-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propyl]piperazin-1-yl]ethyl]morpholine
SMILESCCC(c1nnnn1-c1c(C)cccc1C)N1CCN(CCN2CCOCC2)CC1
InChIInChI=1S/C22H35N7O/c1-4-20(22-23-24-25-29(22)21-18(2)6-5-7-19(21)3)28-12-10-26(11-13-28)8-9-27-14-16-30-17-15-27/h5-7,20H,4,8-17H2,1-3H3
InChIKeyDDTCFLFCOMYWIH-UHFFFAOYSA-N
MW413.57 g/mol
LogP1.68
Rot. Bonds7

About 4-[2-[4-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propyl]piperazin-1-yl]ethyl]morpholine

4-[2-[4-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propyl]piperazin-1-yl]ethyl]morpholine (PubChem CID 53301008) has the molecular formula C22H35N7O and a molecular weight of 413.57 g/mol. Its IUPAC name is 4-[2-[4-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propyl]piperazin-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[4-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propyl]piperazin-1-yl]ethyl]morpholine
PubChem CID53301008
Molecular FormulaC22H35N7O
Molecular Weight413.57 g/mol
Exact Mass413.29
IUPAC Name4-[2-[4-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propyl]piperazin-1-yl]ethyl]morpholine
SMILESCCC(c1nnnn1-c1c(C)cccc1C)N1CCN(CCN2CCOCC2)CC1
InChIInChI=1S/C22H35N7O/c1-4-20(22-23-24-25-29(22)21-18(2)6-5-7-19(21)3)28-12-10-26(11-13-28)8-9-27-14-16-30-17-15-27/h5-7,20H,4,8-17H2,1-3H3
InChIKeyDDTCFLFCOMYWIH-UHFFFAOYSA-N
XLogP1.68
TPSA62.55 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.57
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propyl]piperazin-1-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[4-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propyl]piperazin-1-yl]ethyl]morpholine (CID 53301008) is 4-[2-[4-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propyl]piperazin-1-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[4-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propyl]piperazin-1-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[4-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propyl]piperazin-1-yl]ethyl]morpholine is CCC(c1nnnn1-c1c(C)cccc1C)N1CCN(CCN2CCOCC2)CC1.
What is the InChIKey of 4-[2-[4-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propyl]piperazin-1-yl]ethyl]morpholine?
The InChIKey is DDTCFLFCOMYWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N7O/c1-4-20(22-23-24-25-29(22)21-18(2)6-5-7-19(21)3)28-12-10-26(11-13-28)8-9-27-14-16-30-17-15-27/h5-7,20H,4,8-17H2,1-3H3.
What are the key properties of 4-[2-[4-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propyl]piperazin-1-yl]ethyl]morpholine?
4-[2-[4-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propyl]piperazin-1-yl]ethyl]morpholine has a molecular weight of 413.57 g/mol, XLogP of 1.68, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propyl]piperazin-1-yl]ethyl]morpholine is sourced from PubChem (CID 53301008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).