tert-butyl 4-[5-(hydroxymethyl)-6-methyl-2-pyridinyl]piperidine-1-carboxylate

C17H26N2O3 — CID 118960889

IUPACtert-butyl 4-[5-(hydroxymethyl)-6-methyl-2-pyridinyl]piperidine-1-carboxylate
SMILESCc1nc(C2CCN(C(=O)OC(C)(C)C)CC2)ccc1CO
InChIInChI=1S/C17H26N2O3/c1-12-14(11-20)5-6-15(18-12)13-7-9-19(10-8-13)16(21)22-17(2,3)4/h5-6,13,20H,7-11H2,1-4H3
InChIKeyYONNGVQWVJLTTD-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.00
Rot. Bonds2

About tert-butyl 4-[5-(hydroxymethyl)-6-methyl-2-pyridinyl]piperidine-1-carboxylate

tert-butyl 4-[5-(hydroxymethyl)-6-methyl-2-pyridinyl]piperidine-1-carboxylate (PubChem CID 118960889) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is tert-butyl 4-[5-(hydroxymethyl)-6-methyl-2-pyridinyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[5-(hydroxymethyl)-6-methyl-2-pyridinyl]piperidine-1-carboxylate
PubChem CID118960889
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Nametert-butyl 4-[5-(hydroxymethyl)-6-methyl-2-pyridinyl]piperidine-1-carboxylate
SMILESCc1nc(C2CCN(C(=O)OC(C)(C)C)CC2)ccc1CO
InChIInChI=1S/C17H26N2O3/c1-12-14(11-20)5-6-15(18-12)13-7-9-19(10-8-13)16(21)22-17(2,3)4/h5-6,13,20H,7-11H2,1-4H3
InChIKeyYONNGVQWVJLTTD-UHFFFAOYSA-N
XLogP3.00
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[5-(hydroxymethyl)-6-methyl-2-pyridinyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[5-(hydroxymethyl)-6-methyl-2-pyridinyl]piperidine-1-carboxylate (CID 118960889) is tert-butyl 4-[5-(hydroxymethyl)-6-methyl-2-pyridinyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[5-(hydroxymethyl)-6-methyl-2-pyridinyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[5-(hydroxymethyl)-6-methyl-2-pyridinyl]piperidine-1-carboxylate is Cc1nc(C2CCN(C(=O)OC(C)(C)C)CC2)ccc1CO.
What is the InChIKey of tert-butyl 4-[5-(hydroxymethyl)-6-methyl-2-pyridinyl]piperidine-1-carboxylate?
The InChIKey is YONNGVQWVJLTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-12-14(11-20)5-6-15(18-12)13-7-9-19(10-8-13)16(21)22-17(2,3)4/h5-6,13,20H,7-11H2,1-4H3.
What are the key properties of tert-butyl 4-[5-(hydroxymethyl)-6-methyl-2-pyridinyl]piperidine-1-carboxylate?
tert-butyl 4-[5-(hydroxymethyl)-6-methyl-2-pyridinyl]piperidine-1-carboxylate has a molecular weight of 306.41 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[5-(hydroxymethyl)-6-methyl-2-pyridinyl]piperidine-1-carboxylate is sourced from PubChem (CID 118960889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).