4-[(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]morpholine;hydrochloride

C21H26ClN5O — CID 171668621

IUPAC4-[(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]morpholine;hydrochloride
SMILESCc1ccc(C(c2nnnn2CCc2ccccc2)N2CCOCC2)cc1.Cl
InChIInChI=1S/C21H25N5O.ClH/c1-17-7-9-19(10-8-17)20(25-13-15-27-16-14-25)21-22-23-24-26(21)12-11-18-5-3-2-4-6-18;/h2-10,20H,11-16H2,1H3;1H
InChIKeyMHNLXNJOOGWBSI-UHFFFAOYSA-N
MW399.93 g/mol
LogP3.07
Rot. Bonds6

About 4-[(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]morpholine;hydrochloride

4-[(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]morpholine;hydrochloride (PubChem CID 171668621) has the molecular formula C21H26ClN5O and a molecular weight of 399.93 g/mol. Its IUPAC name is 4-[(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]morpholine;hydrochloride.

Molecular Properties

Compound Name4-[(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]morpholine;hydrochloride
PubChem CID171668621
Molecular FormulaC21H26ClN5O
Molecular Weight399.93 g/mol
Exact Mass399.18
IUPAC Name4-[(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]morpholine;hydrochloride
SMILESCc1ccc(C(c2nnnn2CCc2ccccc2)N2CCOCC2)cc1.Cl
InChIInChI=1S/C21H25N5O.ClH/c1-17-7-9-19(10-8-17)20(25-13-15-27-16-14-25)21-22-23-24-26(21)12-11-18-5-3-2-4-6-18;/h2-10,20H,11-16H2,1H3;1H
InChIKeyMHNLXNJOOGWBSI-UHFFFAOYSA-N
XLogP3.07
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.93
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[1-(2-phenylethyl)tetrazol-5-yl]-pyridin-3-ylmethyl]morpholine
CID 3229139
1-(4-fluorophenyl)-4-[(R)-(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine
CID 1449076
1-cyclopentyl-4-[(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine
CID 3210504
furan-2-yl-[4-[(S)-(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone
CID 1449069
furan-2-yl-[4-[(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone
CID 3210500
1-[(4-chlorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-methylpiperazine;hydrochloride
CID 171668058
6-methyl-3-[(R)-morpholin-4-yl-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one
CID 1454854
1-[(R)-(4-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-phenylpiperazine
CID 1449129
1-[(4-ethoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-methylpiperazine;hydrochloride
CID 175654297
4-[(1-benzyltetrazol-5-yl)-pyridin-4-ylmethyl]morpholine
CID 648580
1-[(S)-(3,4-dimethoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-methylpiperazine
CID 7206217
1-[(4-chlorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide;hydrochloride
CID 175654218

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]morpholine;hydrochloride?
The IUPAC name of 4-[(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]morpholine;hydrochloride (CID 171668621) is 4-[(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]morpholine;hydrochloride.
What is the SMILES notation for 4-[(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]morpholine;hydrochloride?
The canonical SMILES for 4-[(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]morpholine;hydrochloride is Cc1ccc(C(c2nnnn2CCc2ccccc2)N2CCOCC2)cc1.Cl.
What is the InChIKey of 4-[(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]morpholine;hydrochloride?
The InChIKey is MHNLXNJOOGWBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O.ClH/c1-17-7-9-19(10-8-17)20(25-13-15-27-16-14-25)21-22-23-24-26(21)12-11-18-5-3-2-4-6-18;/h2-10,20H,11-16H2,1H3;1H.
What are the key properties of 4-[(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]morpholine;hydrochloride?
4-[(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]morpholine;hydrochloride has a molecular weight of 399.93 g/mol, XLogP of 3.07, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]morpholine;hydrochloride is sourced from PubChem (CID 171668621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).