4-[(R)-(4-chlorophenyl)-(1-cyclohexyltetrazol-5-yl)methyl]morpholin-4-ium

C18H25ClN5O+ — CID 7140869

IUPAC4-[(R)-(4-chlorophenyl)-(1-cyclohexyltetrazol-5-yl)methyl]morpholin-4-ium
SMILESClc1ccc([C@H](c2nnnn2C2CCCCC2)[NH+]2CCOCC2)cc1
InChIInChI=1S/C18H24ClN5O/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/h6-9,16-17H,1-5,10-13H2/p+1/t17-/m1/s1
InChIKeyFIWNQJLTYWZKKV-QGZVFWFLSA-O
MW362.89 g/mol
LogP1.84
Rot. Bonds4

About 4-[(R)-(4-chlorophenyl)-(1-cyclohexyltetrazol-5-yl)methyl]morpholin-4-ium

4-[(R)-(4-chlorophenyl)-(1-cyclohexyltetrazol-5-yl)methyl]morpholin-4-ium (PubChem CID 7140869) has the molecular formula C18H25ClN5O+ and a molecular weight of 362.89 g/mol. Its IUPAC name is 4-[(R)-(4-chlorophenyl)-(1-cyclohexyltetrazol-5-yl)methyl]morpholin-4-ium.

Molecular Properties

Compound Name4-[(R)-(4-chlorophenyl)-(1-cyclohexyltetrazol-5-yl)methyl]morpholin-4-ium
PubChem CID7140869
Molecular FormulaC18H25ClN5O+
Molecular Weight362.89 g/mol
Exact Mass362.17
IUPAC Name4-[(R)-(4-chlorophenyl)-(1-cyclohexyltetrazol-5-yl)methyl]morpholin-4-ium
SMILESClc1ccc([C@H](c2nnnn2C2CCCCC2)[NH+]2CCOCC2)cc1
InChIInChI=1S/C18H24ClN5O/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/h6-9,16-17H,1-5,10-13H2/p+1/t17-/m1/s1
InChIKeyFIWNQJLTYWZKKV-QGZVFWFLSA-O
XLogP1.84
TPSA57.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.89
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(R)-(1-cyclopentyltetrazol-5-yl)-pyridin-4-ylmethyl]morpholin-4-ium
CID 6985832
1-[(R)-(4-chlorophenyl)-(1-cyclopentyltetrazol-5-yl)methyl]-4-methylpiperazine-1,4-diium
CID 7383139
1-cyclohexyl-5-[(R)-(4-fluorophenyl)-pyrrolidin-1-ium-1-ylmethyl]tetrazole
CID 7125336
1-[(S)-(1-cyclohexyltetrazol-5-yl)-(4-fluorophenyl)methyl]piperidin-1-ium
CID 7242468
4-[(R)-(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]morpholin-4-ium
CID 7140874
4-[(R)-(4-chlorophenyl)-(1-phenyltetrazol-5-yl)methyl]morpholin-4-ium
CID 7250840
1-[(S)-(1-cyclohexyltetrazol-5-yl)-phenylmethyl]-4-methylpiperidin-1-ium
CID 7382838
1-[(R)-(1-cyclohexyltetrazol-5-yl)-phenylmethyl]-4-methylpiperidin-1-ium
CID 7382839
4-[(S)-(4-chlorophenyl)-(1-phenyltetrazol-5-yl)methyl]morpholin-4-ium
CID 7250842
1-[(R)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-methylpiperazine-1,4-diium
CID 7383044
4-[(S)-(1-cyclopentyltetrazol-5-yl)-(4-methylpiperazine-1,4-diium-1-yl)methyl]-N,N-dimethylaniline
CID 7383081
1-[(R)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-methylpiperidin-1-ium
CID 7382841

Frequently Asked Questions

What is the IUPAC name of 4-[(R)-(4-chlorophenyl)-(1-cyclohexyltetrazol-5-yl)methyl]morpholin-4-ium?
The IUPAC name of 4-[(R)-(4-chlorophenyl)-(1-cyclohexyltetrazol-5-yl)methyl]morpholin-4-ium (CID 7140869) is 4-[(R)-(4-chlorophenyl)-(1-cyclohexyltetrazol-5-yl)methyl]morpholin-4-ium.
What is the SMILES notation for 4-[(R)-(4-chlorophenyl)-(1-cyclohexyltetrazol-5-yl)methyl]morpholin-4-ium?
The canonical SMILES for 4-[(R)-(4-chlorophenyl)-(1-cyclohexyltetrazol-5-yl)methyl]morpholin-4-ium is Clc1ccc([C@H](c2nnnn2C2CCCCC2)[NH+]2CCOCC2)cc1.
What is the InChIKey of 4-[(R)-(4-chlorophenyl)-(1-cyclohexyltetrazol-5-yl)methyl]morpholin-4-ium?
The InChIKey is FIWNQJLTYWZKKV-QGZVFWFLSA-O. The full InChI is InChI=1S/C18H24ClN5O/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/h6-9,16-17H,1-5,10-13H2/p+1/t17-/m1/s1.
What are the key properties of 4-[(R)-(4-chlorophenyl)-(1-cyclohexyltetrazol-5-yl)methyl]morpholin-4-ium?
4-[(R)-(4-chlorophenyl)-(1-cyclohexyltetrazol-5-yl)methyl]morpholin-4-ium has a molecular weight of 362.89 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(R)-(4-chlorophenyl)-(1-cyclohexyltetrazol-5-yl)methyl]morpholin-4-ium is sourced from PubChem (CID 7140869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).