tert-butyl 4-[[4-[(1R)-1-hydroxyethyl]-2-pyridinyl]oxy]piperidine-1-carboxylate

C17H26N2O4 — CID 124636303

IUPACtert-butyl 4-[[4-[(1R)-1-hydroxyethyl]-2-pyridinyl]oxy]piperidine-1-carboxylate
SMILESC[C@@H](O)c1ccnc(OC2CCN(C(=O)OC(C)(C)C)CC2)c1
InChIInChI=1S/C17H26N2O4/c1-12(20)13-5-8-18-15(11-13)22-14-6-9-19(10-7-14)16(21)23-17(2,3)4/h5,8,11-12,14,20H,6-7,9-10H2,1-4H3/t12-/m1/s1
InChIKeyBNVRJUVLIBLUFQ-GFCCVEGCSA-N
MW322.41 g/mol
LogP2.91
Rot. Bonds3

About tert-butyl 4-[[4-[(1R)-1-hydroxyethyl]-2-pyridinyl]oxy]piperidine-1-carboxylate

tert-butyl 4-[[4-[(1R)-1-hydroxyethyl]-2-pyridinyl]oxy]piperidine-1-carboxylate (PubChem CID 124636303) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is tert-butyl 4-[[4-[(1R)-1-hydroxyethyl]-2-pyridinyl]oxy]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[4-[(1R)-1-hydroxyethyl]-2-pyridinyl]oxy]piperidine-1-carboxylate
PubChem CID124636303
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC Nametert-butyl 4-[[4-[(1R)-1-hydroxyethyl]-2-pyridinyl]oxy]piperidine-1-carboxylate
SMILESC[C@@H](O)c1ccnc(OC2CCN(C(=O)OC(C)(C)C)CC2)c1
InChIInChI=1S/C17H26N2O4/c1-12(20)13-5-8-18-15(11-13)22-14-6-9-19(10-7-14)16(21)23-17(2,3)4/h5,8,11-12,14,20H,6-7,9-10H2,1-4H3/t12-/m1/s1
InChIKeyBNVRJUVLIBLUFQ-GFCCVEGCSA-N
XLogP2.91
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-[[4-[(1R)-1-hydroxyethyl]-2-pyridinyl]oxy]piperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 4-[3-[(1R)-1-hydroxyethyl]phenoxy]piperidine-1-carboxylate
CID 124636293
tert-butyl 4-pyrazin-2-yloxypiperidine-1-carboxylate;ethane
CID 46739871
tert-butyl 4-[3-[(4-ethenyl-2-pyridinyl)oxy]cyclobutyl]oxypiperidine-1-carboxylate
CID 168901562
tert-butyl 4-(6-aminopyrimidin-4-yl)oxypiperidine-1-carboxylate
CID 58167449
tert-butyl 4-[4-[3-[(4-bromo-2-pyridinyl)oxy]cyclobutyl]oxypiperidine-1-carbonyl]piperidine-1-carboxylate
CID 146316604
tert-butyl 4-[(5-ethyl-2-pyridinyl)oxy]piperidine-1-carboxylate
CID 134497281
2-methylpropyl 4-[(4-carbamoyl-2-pyridinyl)oxy]piperidine-1-carboxylate
CID 145027304
tert-butyl 4-[[4-(2-fluoro-4-methylsulfonylanilino)-2-pyridinyl]oxy]piperidine-1-carboxylate
CID 68980427
3-chloro-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypyridine-4-carboxylic acid
CID 130406230
tert-butyl 4-(6-methylquinolin-4-yl)oxypiperidine-1-carboxylate
CID 143199953
tert-butyl 4-[6-ethenyl-2-(trifluoromethyl)pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 67954436
tert-butyl 4-[2-[(3,4-dichlorophenyl)methyl]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 167388806

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[4-[(1R)-1-hydroxyethyl]-2-pyridinyl]oxy]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[4-[(1R)-1-hydroxyethyl]-2-pyridinyl]oxy]piperidine-1-carboxylate (CID 124636303) is tert-butyl 4-[[4-[(1R)-1-hydroxyethyl]-2-pyridinyl]oxy]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[4-[(1R)-1-hydroxyethyl]-2-pyridinyl]oxy]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[4-[(1R)-1-hydroxyethyl]-2-pyridinyl]oxy]piperidine-1-carboxylate is C[C@@H](O)c1ccnc(OC2CCN(C(=O)OC(C)(C)C)CC2)c1.
What is the InChIKey of tert-butyl 4-[[4-[(1R)-1-hydroxyethyl]-2-pyridinyl]oxy]piperidine-1-carboxylate?
The InChIKey is BNVRJUVLIBLUFQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-12(20)13-5-8-18-15(11-13)22-14-6-9-19(10-7-14)16(21)23-17(2,3)4/h5,8,11-12,14,20H,6-7,9-10H2,1-4H3/t12-/m1/s1.
What are the key properties of tert-butyl 4-[[4-[(1R)-1-hydroxyethyl]-2-pyridinyl]oxy]piperidine-1-carboxylate?
tert-butyl 4-[[4-[(1R)-1-hydroxyethyl]-2-pyridinyl]oxy]piperidine-1-carboxylate has a molecular weight of 322.41 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[4-[(1R)-1-hydroxyethyl]-2-pyridinyl]oxy]piperidine-1-carboxylate is sourced from PubChem (CID 124636303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).