tert-butyl 4-hydroxy-3-[(2-methoxy-3-pyridinyl)methyl]piperidine-1-carboxylate

C17H26N2O4 — CID 104928493

IUPACtert-butyl 4-hydroxy-3-[(2-methoxy-3-pyridinyl)methyl]piperidine-1-carboxylate
SMILESCOc1ncccc1CC1CN(C(=O)OC(C)(C)C)CCC1O
InChIInChI=1S/C17H26N2O4/c1-17(2,3)23-16(21)19-9-7-14(20)13(11-19)10-12-6-5-8-18-15(12)22-4/h5-6,8,13-14,20H,7,9-11H2,1-4H3
InChIKeyOADZOANZFNSRSR-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.25
Rot. Bonds3

About tert-butyl 4-hydroxy-3-[(2-methoxy-3-pyridinyl)methyl]piperidine-1-carboxylate

tert-butyl 4-hydroxy-3-[(2-methoxy-3-pyridinyl)methyl]piperidine-1-carboxylate (PubChem CID 104928493) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is tert-butyl 4-hydroxy-3-[(2-methoxy-3-pyridinyl)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-hydroxy-3-[(2-methoxy-3-pyridinyl)methyl]piperidine-1-carboxylate
PubChem CID104928493
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC Nametert-butyl 4-hydroxy-3-[(2-methoxy-3-pyridinyl)methyl]piperidine-1-carboxylate
SMILESCOc1ncccc1CC1CN(C(=O)OC(C)(C)C)CCC1O
InChIInChI=1S/C17H26N2O4/c1-17(2,3)23-16(21)19-9-7-14(20)13(11-19)10-12-6-5-8-18-15(12)22-4/h5-6,8,13-14,20H,7,9-11H2,1-4H3
InChIKeyOADZOANZFNSRSR-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 3-[(2-fluorophenyl)methyl]-4-hydroxypiperidine-1-carboxylate
CID 104928512
tert-butyl 4-[[[2-(2-methoxy-3-pyridinyl)acetyl]amino]methyl]piperidine-1-carboxylate
CID 139805161
tert-butyl (3S)-3-[(2-methoxy-3-pyridinyl)-sulfanylmethyl]pyrrolidine-1-carboxylate
CID 153376763
tert-butyl 2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]pyrrolidine-1-carboxylate
CID 106637826
3-[(2-methoxy-3-pyridinyl)methyl]oxan-4-ol
CID 106471082
tert-butyl (3R)-3-[[(2-methyl-3-pyridinyl)methylamino]methyl]pyrrolidine-1-carboxylate
CID 97351178
tert-butyl (3R)-3-[(3-bromo-2-pyridinyl)oxy]pyrrolidine-1-carboxylate
CID 97102850
tert-butyl (3R)-3-[(3-nitro-2-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate
CID 97171290
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 114960651
tert-butyl (3R,4R)-3-amino-4-pyridin-4-ylpiperidine-1-carboxylate
CID 97357623
tert-butyl 3-[(3-bromo-4-fluorophenyl)methyl]-4-hydroxypiperidine-1-carboxylate
CID 104928486
tert-butyl (3R)-3-[(3-hydroxy-2-pyridinyl)oxy]piperidine-1-carboxylate
CID 71630690

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-hydroxy-3-[(2-methoxy-3-pyridinyl)methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-hydroxy-3-[(2-methoxy-3-pyridinyl)methyl]piperidine-1-carboxylate (CID 104928493) is tert-butyl 4-hydroxy-3-[(2-methoxy-3-pyridinyl)methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-hydroxy-3-[(2-methoxy-3-pyridinyl)methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-hydroxy-3-[(2-methoxy-3-pyridinyl)methyl]piperidine-1-carboxylate is COc1ncccc1CC1CN(C(=O)OC(C)(C)C)CCC1O.
What is the InChIKey of tert-butyl 4-hydroxy-3-[(2-methoxy-3-pyridinyl)methyl]piperidine-1-carboxylate?
The InChIKey is OADZOANZFNSRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-17(2,3)23-16(21)19-9-7-14(20)13(11-19)10-12-6-5-8-18-15(12)22-4/h5-6,8,13-14,20H,7,9-11H2,1-4H3.
What are the key properties of tert-butyl 4-hydroxy-3-[(2-methoxy-3-pyridinyl)methyl]piperidine-1-carboxylate?
tert-butyl 4-hydroxy-3-[(2-methoxy-3-pyridinyl)methyl]piperidine-1-carboxylate has a molecular weight of 322.41 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-hydroxy-3-[(2-methoxy-3-pyridinyl)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 104928493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).