tert-butyl (3R,4R)-3-hydroxy-4-(6-phenylmethoxy-3-pyridinyl)piperidine-1-carboxylate

C22H28N2O4 — CID 58298357

IUPACtert-butyl (3R,4R)-3-hydroxy-4-(6-phenylmethoxy-3-pyridinyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@H](c2ccc(OCc3ccccc3)nc2)[C@@H](O)C1
InChIInChI=1S/C22H28N2O4/c1-22(2,3)28-21(26)24-12-11-18(19(25)14-24)17-9-10-20(23-13-17)27-15-16-7-5-4-6-8-16/h4-10,13,18-19,25H,11-12,14-15H2,1-3H3/t18-,19+/m1/s1
InChIKeyFGXABWULVMOVJU-MOPGFXCFSA-N
MW384.48 g/mol
LogP3.75
Rot. Bonds4

About tert-butyl (3R,4R)-3-hydroxy-4-(6-phenylmethoxy-3-pyridinyl)piperidine-1-carboxylate

tert-butyl (3R,4R)-3-hydroxy-4-(6-phenylmethoxy-3-pyridinyl)piperidine-1-carboxylate (PubChem CID 58298357) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is tert-butyl (3R,4R)-3-hydroxy-4-(6-phenylmethoxy-3-pyridinyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R,4R)-3-hydroxy-4-(6-phenylmethoxy-3-pyridinyl)piperidine-1-carboxylate
PubChem CID58298357
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Nametert-butyl (3R,4R)-3-hydroxy-4-(6-phenylmethoxy-3-pyridinyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@H](c2ccc(OCc3ccccc3)nc2)[C@@H](O)C1
InChIInChI=1S/C22H28N2O4/c1-22(2,3)28-21(26)24-12-11-18(19(25)14-24)17-9-10-20(23-13-17)27-15-16-7-5-4-6-8-16/h4-10,13,18-19,25H,11-12,14-15H2,1-3H3/t18-,19+/m1/s1
InChIKeyFGXABWULVMOVJU-MOPGFXCFSA-N
XLogP3.75
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl (3R,4R)-3-hydroxy-4-(6-phenylmethoxy-3-pyridinyl)piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl (3R,4R)-3-hydroxy-4-(4-phenylmethoxyphenyl)piperidine-1-carboxylate
CID 52910991
tert-butyl (3S)-3-[(5-phenylmethoxy-2-pyridinyl)oxy]pyrrolidine-1-carboxylate
CID 134579999
tert-butyl 3-hydroxy-4-(2-methylsulfanylpyrimidin-5-yl)piperidine-1-carboxylate
CID 90761230
tert-butyl (3S,4S)-4-(4-ethoxyphenyl)-3-hydroxypiperidine-1-carboxylate
CID 95566636
tert-butyl (3S)-3-methyl-4-(6-phenylmethoxypyridazin-3-yl)piperazine-1-carboxylate
CID 178116354
tert-butyl 3-hydroxy-4-[4-[(3-phenyl-1,2-oxazol-5-yl)methoxy]phenyl]piperidine-1-carboxylate
CID 54505547
tert-butyl (3S,4S)-4-(3,5-dimethylphenyl)-3-hydroxypiperidine-1-carboxylate
CID 95566713
tert-butyl (3R,4S)-3,4-diphenylpiperidine-1-carboxylate
CID 101207420
tert-butyl (3S,4R)-3-hydroxy-4-(2-methylphenyl)piperidine-1-carboxylate
CID 95566698
1-O-tert-butyl 3-O-ethyl (3S,4R)-4-(2,3-dimethyl-6-phenylmethoxy-4-pyridinyl)piperidine-1,3-dicarboxylate
CID 131732030
tert-butyl 4-(3,4-difluorophenyl)-3-hydroxypiperidine-1-carboxylate
CID 54596037
tert-butyl 4-(3-methoxypropoxy)piperidine-1-carboxylate;tert-butyl N-[(6-phenylmethoxy-3-pyridinyl)methyl]carbamate
CID 171081379

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R,4R)-3-hydroxy-4-(6-phenylmethoxy-3-pyridinyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R,4R)-3-hydroxy-4-(6-phenylmethoxy-3-pyridinyl)piperidine-1-carboxylate (CID 58298357) is tert-butyl (3R,4R)-3-hydroxy-4-(6-phenylmethoxy-3-pyridinyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R,4R)-3-hydroxy-4-(6-phenylmethoxy-3-pyridinyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R,4R)-3-hydroxy-4-(6-phenylmethoxy-3-pyridinyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CC[C@H](c2ccc(OCc3ccccc3)nc2)[C@@H](O)C1.
What is the InChIKey of tert-butyl (3R,4R)-3-hydroxy-4-(6-phenylmethoxy-3-pyridinyl)piperidine-1-carboxylate?
The InChIKey is FGXABWULVMOVJU-MOPGFXCFSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-22(2,3)28-21(26)24-12-11-18(19(25)14-24)17-9-10-20(23-13-17)27-15-16-7-5-4-6-8-16/h4-10,13,18-19,25H,11-12,14-15H2,1-3H3/t18-,19+/m1/s1.
What are the key properties of tert-butyl (3R,4R)-3-hydroxy-4-(6-phenylmethoxy-3-pyridinyl)piperidine-1-carboxylate?
tert-butyl (3R,4R)-3-hydroxy-4-(6-phenylmethoxy-3-pyridinyl)piperidine-1-carboxylate has a molecular weight of 384.48 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R,4R)-3-hydroxy-4-(6-phenylmethoxy-3-pyridinyl)piperidine-1-carboxylate is sourced from PubChem (CID 58298357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).