4-[(R)-(1-cyclopentyltetrazol-5-yl)-pyridin-4-ylmethyl]morpholin-4-ium

C16H23N6O+ — CID 6985832

IUPAC4-[(R)-(1-cyclopentyltetrazol-5-yl)-pyridin-4-ylmethyl]morpholin-4-ium
SMILESc1cc([C@H](c2nnnn2C2CCCC2)[NH+]2CCOCC2)ccn1
InChIInChI=1S/C16H22N6O/c1-2-4-14(3-1)22-16(18-19-20-22)15(13-5-7-17-8-6-13)21-9-11-23-12-10-21/h5-8,14-15H,1-4,9-12H2/p+1/t15-/m1/s1
InChIKeyJEKVVIFIZUGAPB-OAHLLOKOSA-O
MW315.40 g/mol
LogP0.19
Rot. Bonds4

About 4-[(R)-(1-cyclopentyltetrazol-5-yl)-pyridin-4-ylmethyl]morpholin-4-ium

4-[(R)-(1-cyclopentyltetrazol-5-yl)-pyridin-4-ylmethyl]morpholin-4-ium (PubChem CID 6985832) has the molecular formula C16H23N6O+ and a molecular weight of 315.40 g/mol. Its IUPAC name is 4-[(R)-(1-cyclopentyltetrazol-5-yl)-pyridin-4-ylmethyl]morpholin-4-ium.

Molecular Properties

Compound Name4-[(R)-(1-cyclopentyltetrazol-5-yl)-pyridin-4-ylmethyl]morpholin-4-ium
PubChem CID6985832
Molecular FormulaC16H23N6O+
Molecular Weight315.40 g/mol
Exact Mass315.19
IUPAC Name4-[(R)-(1-cyclopentyltetrazol-5-yl)-pyridin-4-ylmethyl]morpholin-4-ium
SMILESc1cc([C@H](c2nnnn2C2CCCC2)[NH+]2CCOCC2)ccn1
InChIInChI=1S/C16H22N6O/c1-2-4-14(3-1)22-16(18-19-20-22)15(13-5-7-17-8-6-13)21-9-11-23-12-10-21/h5-8,14-15H,1-4,9-12H2/p+1/t15-/m1/s1
InChIKeyJEKVVIFIZUGAPB-OAHLLOKOSA-O
XLogP0.19
TPSA70.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(R)-(4-chlorophenyl)-(1-cyclohexyltetrazol-5-yl)methyl]morpholin-4-ium
CID 7140869
4-[(R)-(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]morpholin-4-ium
CID 7140874
1-[(S)-(1-cyclohexyltetrazol-5-yl)-(4-fluorophenyl)methyl]piperidin-1-ium
CID 7242468
1-[(R)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-methylpiperazine-1,4-diium
CID 7383044
1-cyclohexyl-5-[(R)-(4-fluorophenyl)-pyrrolidin-1-ium-1-ylmethyl]tetrazole
CID 7125336
1-[(R)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-methylpiperidin-1-ium
CID 7382841
1-[(R)-(4-chlorophenyl)-(1-cyclopentyltetrazol-5-yl)methyl]-4-methylpiperazine-1,4-diium
CID 7383139
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)-(1-cyclopentyltetrazol-5-yl)-(4-methylpiperazine-1,4-diium-1-yl)methyl]-N,N-dimethylaniline
CID 7383081
1-benzyl-4-[(R)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]piperazine-1,4-diium
CID 7383831
1-cyclopentyl-4-[(R)-(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]piperazine-1,4-diium
CID 7383860

Frequently Asked Questions

What is the IUPAC name of 4-[(R)-(1-cyclopentyltetrazol-5-yl)-pyridin-4-ylmethyl]morpholin-4-ium?
The IUPAC name of 4-[(R)-(1-cyclopentyltetrazol-5-yl)-pyridin-4-ylmethyl]morpholin-4-ium (CID 6985832) is 4-[(R)-(1-cyclopentyltetrazol-5-yl)-pyridin-4-ylmethyl]morpholin-4-ium.
What is the SMILES notation for 4-[(R)-(1-cyclopentyltetrazol-5-yl)-pyridin-4-ylmethyl]morpholin-4-ium?
The canonical SMILES for 4-[(R)-(1-cyclopentyltetrazol-5-yl)-pyridin-4-ylmethyl]morpholin-4-ium is c1cc([C@H](c2nnnn2C2CCCC2)[NH+]2CCOCC2)ccn1.
What is the InChIKey of 4-[(R)-(1-cyclopentyltetrazol-5-yl)-pyridin-4-ylmethyl]morpholin-4-ium?
The InChIKey is JEKVVIFIZUGAPB-OAHLLOKOSA-O. The full InChI is InChI=1S/C16H22N6O/c1-2-4-14(3-1)22-16(18-19-20-22)15(13-5-7-17-8-6-13)21-9-11-23-12-10-21/h5-8,14-15H,1-4,9-12H2/p+1/t15-/m1/s1.
What are the key properties of 4-[(R)-(1-cyclopentyltetrazol-5-yl)-pyridin-4-ylmethyl]morpholin-4-ium?
4-[(R)-(1-cyclopentyltetrazol-5-yl)-pyridin-4-ylmethyl]morpholin-4-ium has a molecular weight of 315.40 g/mol, XLogP of 0.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(R)-(1-cyclopentyltetrazol-5-yl)-pyridin-4-ylmethyl]morpholin-4-ium is sourced from PubChem (CID 6985832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).