1-[(S)-(4-fluorophenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidin-4-ol

C18H26FN5O — CID 1432259

IUPAC1-[(S)-(4-fluorophenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidin-4-ol
SMILESCCC(C)(C)n1nnnc1[C@@H](c1ccc(F)cc1)N1CCC(O)CC1
InChIInChI=1S/C18H26FN5O/c1-4-18(2,3)24-17(20-21-22-24)16(13-5-7-14(19)8-6-13)23-11-9-15(25)10-12-23/h5-8,15-16,25H,4,9-12H2,1-3H3/t16-/m1/s1
InChIKeyUWBBIDOJIDBGAJ-MRXNPFEDSA-N
MW347.44 g/mol
LogP2.50
Rot. Bonds5

About 1-[(S)-(4-fluorophenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidin-4-ol

1-[(S)-(4-fluorophenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidin-4-ol (PubChem CID 1432259) has the molecular formula C18H26FN5O and a molecular weight of 347.44 g/mol. Its IUPAC name is 1-[(S)-(4-fluorophenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[(S)-(4-fluorophenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidin-4-ol
PubChem CID1432259
Molecular FormulaC18H26FN5O
Molecular Weight347.44 g/mol
Exact Mass347.21
IUPAC Name1-[(S)-(4-fluorophenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidin-4-ol
SMILESCCC(C)(C)n1nnnc1[C@@H](c1ccc(F)cc1)N1CCC(O)CC1
InChIInChI=1S/C18H26FN5O/c1-4-18(2,3)24-17(20-21-22-24)16(13-5-7-14(19)8-6-13)23-11-9-15(25)10-12-23/h5-8,15-16,25H,4,9-12H2,1-3H3/t16-/m1/s1
InChIKeyUWBBIDOJIDBGAJ-MRXNPFEDSA-N
XLogP2.50
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(S)-(4-fluorophenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidin-4-ol with MolForge

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Related Compounds

1-[(S)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-phenylmethyl]piperidine-4-carboxamide
CID 1444441
4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-methylpiperazin-1-yl)methyl]phenol
CID 43811951
1-[(R)-(4-fluorophenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-4-(3-methoxyphenyl)piperazine
CID 1444486
1-[(S)-(4-chlorophenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-4-methylpiperazine
CID 1433955
4-[(1-tert-butyltetrazol-5-yl)-(4-fluorophenyl)methyl]thiomorpholine
CID 3193511
3-[(R)-(4-hydroxypiperidin-1-yl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-6-methoxy-1H-quinolin-2-one
CID 1159649
6-ethoxy-3-[(S)-(4-hydroxypiperidin-1-yl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-1H-quinolin-2-one
CID 1160226
3-[(4-hydroxypiperidin-1-yl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 3182928
3-[(R)-(4-hydroxypiperidin-1-yl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 1158779
1-ethyl-4-[(S)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-phenylmethyl]piperazine
CID 1444406
3-methyl-1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-methylphenyl)methyl]piperidine
CID 3193570
1-[(4-ethoxyphenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-4-methylpiperazine
CID 3209139

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-(4-fluorophenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidin-4-ol?
The IUPAC name of 1-[(S)-(4-fluorophenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidin-4-ol (CID 1432259) is 1-[(S)-(4-fluorophenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidin-4-ol.
What is the SMILES notation for 1-[(S)-(4-fluorophenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidin-4-ol?
The canonical SMILES for 1-[(S)-(4-fluorophenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidin-4-ol is CCC(C)(C)n1nnnc1[C@@H](c1ccc(F)cc1)N1CCC(O)CC1.
What is the InChIKey of 1-[(S)-(4-fluorophenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidin-4-ol?
The InChIKey is UWBBIDOJIDBGAJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H26FN5O/c1-4-18(2,3)24-17(20-21-22-24)16(13-5-7-14(19)8-6-13)23-11-9-15(25)10-12-23/h5-8,15-16,25H,4,9-12H2,1-3H3/t16-/m1/s1.
What are the key properties of 1-[(S)-(4-fluorophenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidin-4-ol?
1-[(S)-(4-fluorophenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidin-4-ol has a molecular weight of 347.44 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-(4-fluorophenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidin-4-ol is sourced from PubChem (CID 1432259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).