4-[(1-tert-butyltetrazol-5-yl)-(4-chlorophenyl)methyl]morpholine

C16H22ClN5O — CID 3193644

IUPAC4-[(1-tert-butyltetrazol-5-yl)-(4-chlorophenyl)methyl]morpholine
SMILESCC(C)(C)n1nnnc1C(c1ccc(Cl)cc1)N1CCOCC1
InChIInChI=1S/C16H22ClN5O/c1-16(2,3)22-15(18-19-20-22)14(21-8-10-23-11-9-21)12-4-6-13(17)7-5-12/h4-7,14H,8-11H2,1-3H3
InChIKeyDKJXFCQBQFTDOT-UHFFFAOYSA-N
MW335.84 g/mol
LogP2.50
Rot. Bonds3

About 4-[(1-tert-butyltetrazol-5-yl)-(4-chlorophenyl)methyl]morpholine

4-[(1-tert-butyltetrazol-5-yl)-(4-chlorophenyl)methyl]morpholine (PubChem CID 3193644) has the molecular formula C16H22ClN5O and a molecular weight of 335.84 g/mol. Its IUPAC name is 4-[(1-tert-butyltetrazol-5-yl)-(4-chlorophenyl)methyl]morpholine.

Molecular Properties

Compound Name4-[(1-tert-butyltetrazol-5-yl)-(4-chlorophenyl)methyl]morpholine
PubChem CID3193644
Molecular FormulaC16H22ClN5O
Molecular Weight335.84 g/mol
Exact Mass335.15
IUPAC Name4-[(1-tert-butyltetrazol-5-yl)-(4-chlorophenyl)methyl]morpholine
SMILESCC(C)(C)n1nnnc1C(c1ccc(Cl)cc1)N1CCOCC1
InChIInChI=1S/C16H22ClN5O/c1-16(2,3)22-15(18-19-20-22)14(21-8-10-23-11-9-21)12-4-6-13(17)7-5-12/h4-7,14H,8-11H2,1-3H3
InChIKeyDKJXFCQBQFTDOT-UHFFFAOYSA-N
XLogP2.50
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.84
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-tert-butyltetrazol-5-yl)-(4-chlorophenyl)methyl]morpholine?
The IUPAC name of 4-[(1-tert-butyltetrazol-5-yl)-(4-chlorophenyl)methyl]morpholine (CID 3193644) is 4-[(1-tert-butyltetrazol-5-yl)-(4-chlorophenyl)methyl]morpholine.
What is the SMILES notation for 4-[(1-tert-butyltetrazol-5-yl)-(4-chlorophenyl)methyl]morpholine?
The canonical SMILES for 4-[(1-tert-butyltetrazol-5-yl)-(4-chlorophenyl)methyl]morpholine is CC(C)(C)n1nnnc1C(c1ccc(Cl)cc1)N1CCOCC1.
What is the InChIKey of 4-[(1-tert-butyltetrazol-5-yl)-(4-chlorophenyl)methyl]morpholine?
The InChIKey is DKJXFCQBQFTDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN5O/c1-16(2,3)22-15(18-19-20-22)14(21-8-10-23-11-9-21)12-4-6-13(17)7-5-12/h4-7,14H,8-11H2,1-3H3.
What are the key properties of 4-[(1-tert-butyltetrazol-5-yl)-(4-chlorophenyl)methyl]morpholine?
4-[(1-tert-butyltetrazol-5-yl)-(4-chlorophenyl)methyl]morpholine has a molecular weight of 335.84 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-tert-butyltetrazol-5-yl)-(4-chlorophenyl)methyl]morpholine is sourced from PubChem (CID 3193644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).