1-[(1-tert-butyltetrazol-5-yl)-[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol

C18H24F3N5O — CID 3229248

IUPAC1-[(1-tert-butyltetrazol-5-yl)-[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol
SMILESCC(C)(C)n1nnnc1C(c1cccc(C(F)(F)F)c1)N1CCC(O)CC1
InChIInChI=1S/C18H24F3N5O/c1-17(2,3)26-16(22-23-24-26)15(25-9-7-14(27)8-10-25)12-5-4-6-13(11-12)18(19,20)21/h4-6,11,14-15,27H,7-10H2,1-3H3
InChIKeyGZSNQRPFRGGCPI-UHFFFAOYSA-N
MW383.42 g/mol
LogP2.99
Rot. Bonds3

About 1-[(1-tert-butyltetrazol-5-yl)-[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol

1-[(1-tert-butyltetrazol-5-yl)-[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol (PubChem CID 3229248) has the molecular formula C18H24F3N5O and a molecular weight of 383.42 g/mol. Its IUPAC name is 1-[(1-tert-butyltetrazol-5-yl)-[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[(1-tert-butyltetrazol-5-yl)-[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol
PubChem CID3229248
Molecular FormulaC18H24F3N5O
Molecular Weight383.42 g/mol
Exact Mass383.19
IUPAC Name1-[(1-tert-butyltetrazol-5-yl)-[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol
SMILESCC(C)(C)n1nnnc1C(c1cccc(C(F)(F)F)c1)N1CCC(O)CC1
InChIInChI=1S/C18H24F3N5O/c1-17(2,3)26-16(22-23-24-26)15(25-9-7-14(27)8-10-25)12-5-4-6-13(11-12)18(19,20)21/h4-6,11,14-15,27H,7-10H2,1-3H3
InChIKeyGZSNQRPFRGGCPI-UHFFFAOYSA-N
XLogP2.99
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.42
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(1-Benzyl-1H-tetrazol-5-yl)-(3-trifluoromethyl-phenyl)-methyl]-4-methyl-piperazine
CID 646451
1-[(1-tert-Butyl-1H-tetrazol-5-yl)-(3-trifluoromethyl-phenyl)-methyl]-4-methyl-piperazine
CID 650233
4-[[1-(2-Methoxy-ethyl)-1H-tetrazol-5-yl]-(4-trifluoromethyl-phenyl)-methyl]-morpholine
CID 3229145
1-Benzyl-4-[[1-(2-methoxy-ethyl)-1H-tetrazol-5-yl]-(3-trifluoromethyl-phenyl)-methyl]-piperazine
CID 9549581
4-[(1-tert-Butyl-1H-tetrazol-5-yl)-(3-trifluoromethyl-phenyl)-methyl]-morpholine
CID 650533
Benzyl-[(1-tert-butyl-1H-tetrazol-5-yl)-(4-trifluoromethyl-phenyl)-methyl]-ethyl-amine
CID 3229199
4-[[1-(2-Methoxy-ethyl)-1H-tetrazol-5-yl]-(3-trifluoromethyl-phenyl)-methyl]-morpholine
CID 9549428
1-[(1-tert-butyl-1H-tetrazol-5-yl)(phenyl)methyl]-4-methylpiperazine
CID 3152161
1-[[1-[(4-Fluorophenyl)methyl]tetrazol-5-yl]-[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol
CID 3229250
1-[(1-Tert-butyltetrazol-5-yl)-phenylmethyl]-4-ethylpiperazine
CID 3368812
4-Methyl-1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-[4-(trifluoromethyl)phenyl]methyl]piperidine
CID 3229129
1-[[1-(1,1-Dimethylpropyl)-1H-tetrazol-5-yl]-(2-fluorophenyl)-methyl]-4-ethylpiperazine
CID 3209169

Frequently Asked Questions

What is the IUPAC name of 1-[(1-tert-butyltetrazol-5-yl)-[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol?
The IUPAC name of 1-[(1-tert-butyltetrazol-5-yl)-[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol (CID 3229248) is 1-[(1-tert-butyltetrazol-5-yl)-[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol.
What is the SMILES notation for 1-[(1-tert-butyltetrazol-5-yl)-[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol?
The canonical SMILES for 1-[(1-tert-butyltetrazol-5-yl)-[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol is CC(C)(C)n1nnnc1C(c1cccc(C(F)(F)F)c1)N1CCC(O)CC1.
What is the InChIKey of 1-[(1-tert-butyltetrazol-5-yl)-[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol?
The InChIKey is GZSNQRPFRGGCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N5O/c1-17(2,3)26-16(22-23-24-26)15(25-9-7-14(27)8-10-25)12-5-4-6-13(11-12)18(19,20)21/h4-6,11,14-15,27H,7-10H2,1-3H3.
What are the key properties of 1-[(1-tert-butyltetrazol-5-yl)-[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol?
1-[(1-tert-butyltetrazol-5-yl)-[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol has a molecular weight of 383.42 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-tert-butyltetrazol-5-yl)-[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol is sourced from PubChem (CID 3229248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).