1-[(S)-(1-cyclohexyltetrazol-5-yl)-(4-fluorophenyl)methyl]piperidin-1-ium

C19H27FN5+ — CID 7242468

IUPAC1-[(S)-(1-cyclohexyltetrazol-5-yl)-(4-fluorophenyl)methyl]piperidin-1-ium
SMILESFc1ccc([C@@H](c2nnnn2C2CCCCC2)[NH+]2CCCCC2)cc1
InChIInChI=1S/C19H26FN5/c20-16-11-9-15(10-12-16)18(24-13-5-2-6-14-24)19-21-22-23-25(19)17-7-3-1-4-8-17/h9-12,17-18H,1-8,13-14H2/p+1/t18-/m0/s1
InChIKeyRHEPNOCGMNCBJO-SFHVURJKSA-O
MW344.46 g/mol
LogP2.48
Rot. Bonds4

About 1-[(S)-(1-cyclohexyltetrazol-5-yl)-(4-fluorophenyl)methyl]piperidin-1-ium

1-[(S)-(1-cyclohexyltetrazol-5-yl)-(4-fluorophenyl)methyl]piperidin-1-ium (PubChem CID 7242468) has the molecular formula C19H27FN5+ and a molecular weight of 344.46 g/mol. Its IUPAC name is 1-[(S)-(1-cyclohexyltetrazol-5-yl)-(4-fluorophenyl)methyl]piperidin-1-ium.

Molecular Properties

Compound Name1-[(S)-(1-cyclohexyltetrazol-5-yl)-(4-fluorophenyl)methyl]piperidin-1-ium
PubChem CID7242468
Molecular FormulaC19H27FN5+
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name1-[(S)-(1-cyclohexyltetrazol-5-yl)-(4-fluorophenyl)methyl]piperidin-1-ium
SMILESFc1ccc([C@@H](c2nnnn2C2CCCCC2)[NH+]2CCCCC2)cc1
InChIInChI=1S/C19H26FN5/c20-16-11-9-15(10-12-16)18(24-13-5-2-6-14-24)19-21-22-23-25(19)17-7-3-1-4-8-17/h9-12,17-18H,1-8,13-14H2/p+1/t18-/m0/s1
InChIKeyRHEPNOCGMNCBJO-SFHVURJKSA-O
XLogP2.48
TPSA48.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexyl-5-[(R)-(4-fluorophenyl)-pyrrolidin-1-ium-1-ylmethyl]tetrazole
CID 7125336
1-cyclopentyl-4-[(R)-(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]piperazine-1,4-diium
CID 7383860
2-[(R)-(1-cyclohexyltetrazol-5-yl)-(4-fluorophenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium
CID 7382959
1-[(R)-(4-chlorophenyl)-(1-cyclopentyltetrazol-5-yl)methyl]-4-methylpiperazine-1,4-diium
CID 7383139
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
4-[(R)-(4-chlorophenyl)-(1-cyclohexyltetrazol-5-yl)methyl]morpholin-4-ium
CID 7140869
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
1-[(R)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-methylpiperidin-1-ium
CID 7382841
1-[(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]piperidine
CID 3173834
N-[(1-cyclohexyltetrazol-5-yl)-(4-fluorophenyl)methyl]-N-methylcyclohexanamine
CID 3173829

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-(1-cyclohexyltetrazol-5-yl)-(4-fluorophenyl)methyl]piperidin-1-ium?
The IUPAC name of 1-[(S)-(1-cyclohexyltetrazol-5-yl)-(4-fluorophenyl)methyl]piperidin-1-ium (CID 7242468) is 1-[(S)-(1-cyclohexyltetrazol-5-yl)-(4-fluorophenyl)methyl]piperidin-1-ium.
What is the SMILES notation for 1-[(S)-(1-cyclohexyltetrazol-5-yl)-(4-fluorophenyl)methyl]piperidin-1-ium?
The canonical SMILES for 1-[(S)-(1-cyclohexyltetrazol-5-yl)-(4-fluorophenyl)methyl]piperidin-1-ium is Fc1ccc([C@@H](c2nnnn2C2CCCCC2)[NH+]2CCCCC2)cc1.
What is the InChIKey of 1-[(S)-(1-cyclohexyltetrazol-5-yl)-(4-fluorophenyl)methyl]piperidin-1-ium?
The InChIKey is RHEPNOCGMNCBJO-SFHVURJKSA-O. The full InChI is InChI=1S/C19H26FN5/c20-16-11-9-15(10-12-16)18(24-13-5-2-6-14-24)19-21-22-23-25(19)17-7-3-1-4-8-17/h9-12,17-18H,1-8,13-14H2/p+1/t18-/m0/s1.
What are the key properties of 1-[(S)-(1-cyclohexyltetrazol-5-yl)-(4-fluorophenyl)methyl]piperidin-1-ium?
1-[(S)-(1-cyclohexyltetrazol-5-yl)-(4-fluorophenyl)methyl]piperidin-1-ium has a molecular weight of 344.46 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-(1-cyclohexyltetrazol-5-yl)-(4-fluorophenyl)methyl]piperidin-1-ium is sourced from PubChem (CID 7242468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).