tert-butyl 4-hydroxypiperidine-1-carboxylate;2-[2-piperidin-4-yloxy-6-(trifluoromethyl)-4-pyridinyl]propan-2-ol

C24H38F3N3O5 — CID 158423815

IUPACtert-butyl 4-hydroxypiperidine-1-carboxylate;2-[2-piperidin-4-yloxy-6-(trifluoromethyl)-4-pyridinyl]propan-2-ol
SMILESCC(C)(C)OC(=O)N1CCC(O)CC1.CC(C)(O)c1cc(OC2CCNCC2)nc(C(F)(F)F)c1
InChIInChI=1S/C14H19F3N2O2.C10H19NO3/c1-13(2,20)9-7-11(14(15,16)17)19-12(8-9)21-10-3-5-18-6-4-10;1-10(2,3)14-9(13)11-6-4-8(12)5-7-11/h7-8,10,18,20H,3-6H2,1-2H3;8,12H,4-7H2,1-3H3
InChIKeyHAUPIHGXXDHEMD-UHFFFAOYSA-N
MW505.58 g/mol
LogP3.84
Rot. Bonds3

About tert-butyl 4-hydroxypiperidine-1-carboxylate;2-[2-piperidin-4-yloxy-6-(trifluoromethyl)-4-pyridinyl]propan-2-ol

tert-butyl 4-hydroxypiperidine-1-carboxylate;2-[2-piperidin-4-yloxy-6-(trifluoromethyl)-4-pyridinyl]propan-2-ol (PubChem CID 158423815) has the molecular formula C24H38F3N3O5 and a molecular weight of 505.58 g/mol. Its IUPAC name is tert-butyl 4-hydroxypiperidine-1-carboxylate;2-[2-piperidin-4-yloxy-6-(trifluoromethyl)-4-pyridinyl]propan-2-ol.

Molecular Properties

Compound Nametert-butyl 4-hydroxypiperidine-1-carboxylate;2-[2-piperidin-4-yloxy-6-(trifluoromethyl)-4-pyridinyl]propan-2-ol
PubChem CID158423815
Molecular FormulaC24H38F3N3O5
Molecular Weight505.58 g/mol
Exact Mass505.28
IUPAC Nametert-butyl 4-hydroxypiperidine-1-carboxylate;2-[2-piperidin-4-yloxy-6-(trifluoromethyl)-4-pyridinyl]propan-2-ol
SMILESCC(C)(C)OC(=O)N1CCC(O)CC1.CC(C)(O)c1cc(OC2CCNCC2)nc(C(F)(F)F)c1
InChIInChI=1S/C14H19F3N2O2.C10H19NO3/c1-13(2,20)9-7-11(14(15,16)17)19-12(8-9)21-10-3-5-18-6-4-10;1-10(2,3)14-9(13)11-6-4-8(12)5-7-11/h7-8,10,18,20H,3-6H2,1-2H3;8,12H,4-7H2,1-3H3
InChIKeyHAUPIHGXXDHEMD-UHFFFAOYSA-N
XLogP3.84
TPSA104.15 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.58
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze tert-butyl 4-hydroxypiperidine-1-carboxylate;2-[2-piperidin-4-yloxy-6-(trifluoromethyl)-4-pyridinyl]propan-2-ol with MolForge

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Related Compounds

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CID 86666505
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CID 67954436
tert-butyl 4-hydroxy-5-methylazepane-1-carboxylate;methane;5-methylazepan-4-ol
CID 157420851
tert-butyl 4-(2-piperidin-4-yloxy-1,3-benzothiazol-6-yl)piperidine-1-carboxylate
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tert-butyl 4-[(2,6-dichloro-4-pyridinyl)oxy]piperidine-1-carboxylate
CID 139300514
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CID 157276630
tert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate;hydrochloride
CID 19349778
tert-butyl 4-(4-nitrophenoxy)piperidine-1-carboxylate;4-(4-nitrophenoxy)piperidine
CID 161229306
tert-butyl 4-(6-aminopyrimidin-4-yl)oxypiperidine-1-carboxylate
CID 58167449
tert-butyl 4-(4-chloro-3-cyclopentyloxyphenoxy)piperidine-1-carboxylate;4-(4-chloro-3-cyclopentyloxyphenoxy)piperidine
CID 159437456
tert-butyl 4-[4-[6-(trifluoromethyl)-1-benzofuran-2-yl]-1,3-thiazol-2-yl]piperidine-1-carboxylate;2-piperidin-4-yl-4-[6-(trifluoromethyl)-1-benzofuran-2-yl]-1,3-thiazole
CID 165014736
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-hydroxypiperidine-1-carboxylate;2-[2-piperidin-4-yloxy-6-(trifluoromethyl)-4-pyridinyl]propan-2-ol?
The IUPAC name of tert-butyl 4-hydroxypiperidine-1-carboxylate;2-[2-piperidin-4-yloxy-6-(trifluoromethyl)-4-pyridinyl]propan-2-ol (CID 158423815) is tert-butyl 4-hydroxypiperidine-1-carboxylate;2-[2-piperidin-4-yloxy-6-(trifluoromethyl)-4-pyridinyl]propan-2-ol.
What is the SMILES notation for tert-butyl 4-hydroxypiperidine-1-carboxylate;2-[2-piperidin-4-yloxy-6-(trifluoromethyl)-4-pyridinyl]propan-2-ol?
The canonical SMILES for tert-butyl 4-hydroxypiperidine-1-carboxylate;2-[2-piperidin-4-yloxy-6-(trifluoromethyl)-4-pyridinyl]propan-2-ol is CC(C)(C)OC(=O)N1CCC(O)CC1.CC(C)(O)c1cc(OC2CCNCC2)nc(C(F)(F)F)c1.
What is the InChIKey of tert-butyl 4-hydroxypiperidine-1-carboxylate;2-[2-piperidin-4-yloxy-6-(trifluoromethyl)-4-pyridinyl]propan-2-ol?
The InChIKey is HAUPIHGXXDHEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2.C10H19NO3/c1-13(2,20)9-7-11(14(15,16)17)19-12(8-9)21-10-3-5-18-6-4-10;1-10(2,3)14-9(13)11-6-4-8(12)5-7-11/h7-8,10,18,20H,3-6H2,1-2H3;8,12H,4-7H2,1-3H3.
What are the key properties of tert-butyl 4-hydroxypiperidine-1-carboxylate;2-[2-piperidin-4-yloxy-6-(trifluoromethyl)-4-pyridinyl]propan-2-ol?
tert-butyl 4-hydroxypiperidine-1-carboxylate;2-[2-piperidin-4-yloxy-6-(trifluoromethyl)-4-pyridinyl]propan-2-ol has a molecular weight of 505.58 g/mol, XLogP of 3.84, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-hydroxypiperidine-1-carboxylate;2-[2-piperidin-4-yloxy-6-(trifluoromethyl)-4-pyridinyl]propan-2-ol is sourced from PubChem (CID 158423815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).