4-[(S)-(4-chlorophenyl)-(1-phenyltetrazol-5-yl)methyl]morpholin-4-ium

C18H19ClN5O+ — CID 7250842

IUPAC4-[(S)-(4-chlorophenyl)-(1-phenyltetrazol-5-yl)methyl]morpholin-4-ium
SMILESClc1ccc([C@@H](c2nnnn2-c2ccccc2)[NH+]2CCOCC2)cc1
InChIInChI=1S/C18H18ClN5O/c19-15-8-6-14(7-9-15)17(23-10-12-25-13-11-23)18-20-21-22-24(18)16-4-2-1-3-5-16/h1-9,17H,10-13H2/p+1/t17-/m0/s1
InChIKeyPIIOUJKNKUPSRW-KRWDZBQOSA-O
MW356.84 g/mol
LogP1.32
Rot. Bonds4

About 4-[(S)-(4-chlorophenyl)-(1-phenyltetrazol-5-yl)methyl]morpholin-4-ium

4-[(S)-(4-chlorophenyl)-(1-phenyltetrazol-5-yl)methyl]morpholin-4-ium (PubChem CID 7250842) has the molecular formula C18H19ClN5O+ and a molecular weight of 356.84 g/mol. Its IUPAC name is 4-[(S)-(4-chlorophenyl)-(1-phenyltetrazol-5-yl)methyl]morpholin-4-ium.

Molecular Properties

Compound Name4-[(S)-(4-chlorophenyl)-(1-phenyltetrazol-5-yl)methyl]morpholin-4-ium
PubChem CID7250842
Molecular FormulaC18H19ClN5O+
Molecular Weight356.84 g/mol
Exact Mass356.13
IUPAC Name4-[(S)-(4-chlorophenyl)-(1-phenyltetrazol-5-yl)methyl]morpholin-4-ium
SMILESClc1ccc([C@@H](c2nnnn2-c2ccccc2)[NH+]2CCOCC2)cc1
InChIInChI=1S/C18H18ClN5O/c19-15-8-6-14(7-9-15)17(23-10-12-25-13-11-23)18-20-21-22-24(18)16-4-2-1-3-5-16/h1-9,17H,10-13H2/p+1/t17-/m0/s1
InChIKeyPIIOUJKNKUPSRW-KRWDZBQOSA-O
XLogP1.32
TPSA57.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.84
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(R)-(4-chlorophenyl)-(1-phenyltetrazol-5-yl)methyl]morpholin-4-ium
CID 7250840
4-[(R)-(2-chlorophenyl)-[1-(4-chlorophenyl)tetrazol-5-yl]methyl]morpholin-4-ium
CID 7278290
4-[(R)-(4-chlorophenyl)-(1-cyclohexyltetrazol-5-yl)methyl]morpholin-4-ium
CID 7140869
4-[(R)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-morpholin-4-ium-4-ylmethyl]phenol
CID 7071990
(4-morpholin-4-ylphenyl)-(1-phenyltetrazol-5-yl)methanamine
CID 134836088
4-[(S)-(4-chlorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]thiomorpholin-4-ium
CID 7390819
1-benzyl-4-[(S)-(4-chlorophenyl)-(1-propan-2-yltetrazol-5-yl)methyl]piperazine-1,4-diium
CID 7391762
1-[(S)-(1-benzyltetrazol-5-yl)-(4-chlorophenyl)methyl]piperidin-1-ium-4-carboxamide
CID 7396384
4-[(R)-(1-benzyltetrazol-5-yl)-pyridin-2-ylmethyl]morpholin-4-ium
CID 6985836
4-[(S)-(1-benzyltetrazol-5-yl)-thiophen-2-ylmethyl]morpholin-4-ium
CID 7140876
1-[1-(4-chlorophenyl)tetrazol-5-yl]-N,N-dimethyl-1-phenylmethanamine
CID 56689996
N-benzyl-1-(4-morpholin-4-ylphenyl)-1-(1-phenyltetrazol-5-yl)methanamine
CID 134836035

Frequently Asked Questions

What is the IUPAC name of 4-[(S)-(4-chlorophenyl)-(1-phenyltetrazol-5-yl)methyl]morpholin-4-ium?
The IUPAC name of 4-[(S)-(4-chlorophenyl)-(1-phenyltetrazol-5-yl)methyl]morpholin-4-ium (CID 7250842) is 4-[(S)-(4-chlorophenyl)-(1-phenyltetrazol-5-yl)methyl]morpholin-4-ium.
What is the SMILES notation for 4-[(S)-(4-chlorophenyl)-(1-phenyltetrazol-5-yl)methyl]morpholin-4-ium?
The canonical SMILES for 4-[(S)-(4-chlorophenyl)-(1-phenyltetrazol-5-yl)methyl]morpholin-4-ium is Clc1ccc([C@@H](c2nnnn2-c2ccccc2)[NH+]2CCOCC2)cc1.
What is the InChIKey of 4-[(S)-(4-chlorophenyl)-(1-phenyltetrazol-5-yl)methyl]morpholin-4-ium?
The InChIKey is PIIOUJKNKUPSRW-KRWDZBQOSA-O. The full InChI is InChI=1S/C18H18ClN5O/c19-15-8-6-14(7-9-15)17(23-10-12-25-13-11-23)18-20-21-22-24(18)16-4-2-1-3-5-16/h1-9,17H,10-13H2/p+1/t17-/m0/s1.
What are the key properties of 4-[(S)-(4-chlorophenyl)-(1-phenyltetrazol-5-yl)methyl]morpholin-4-ium?
4-[(S)-(4-chlorophenyl)-(1-phenyltetrazol-5-yl)methyl]morpholin-4-ium has a molecular weight of 356.84 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(S)-(4-chlorophenyl)-(1-phenyltetrazol-5-yl)methyl]morpholin-4-ium is sourced from PubChem (CID 7250842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).