2-[1-(5-tert-butyl-2-pyridinyl)piperidin-4-yl]oxyethanamine

C16H27N3O — CID 107875698

IUPAC2-[1-(5-tert-butyl-2-pyridinyl)piperidin-4-yl]oxyethanamine
SMILESCC(C)(C)c1ccc(N2CCC(OCCN)CC2)nc1
InChIInChI=1S/C16H27N3O/c1-16(2,3)13-4-5-15(18-12-13)19-9-6-14(7-10-19)20-11-8-17/h4-5,12,14H,6-11,17H2,1-3H3
InChIKeyVMBJOIRLSIJEJL-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.32
Rot. Bonds4

About 2-[1-(5-tert-butyl-2-pyridinyl)piperidin-4-yl]oxyethanamine

2-[1-(5-tert-butyl-2-pyridinyl)piperidin-4-yl]oxyethanamine (PubChem CID 107875698) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-[1-(5-tert-butyl-2-pyridinyl)piperidin-4-yl]oxyethanamine.

Molecular Properties

Compound Name2-[1-(5-tert-butyl-2-pyridinyl)piperidin-4-yl]oxyethanamine
PubChem CID107875698
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2-[1-(5-tert-butyl-2-pyridinyl)piperidin-4-yl]oxyethanamine
SMILESCC(C)(C)c1ccc(N2CCC(OCCN)CC2)nc1
InChIInChI=1S/C16H27N3O/c1-16(2,3)13-4-5-15(18-12-13)19-9-6-14(7-10-19)20-11-8-17/h4-5,12,14H,6-11,17H2,1-3H3
InChIKeyVMBJOIRLSIJEJL-UHFFFAOYSA-N
XLogP2.32
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-tert-butyl-2-[4-(2-chloroethoxy)piperidin-1-yl]pyridine
CID 107875613
2-[1-(5-bromo-2-pyridinyl)piperidin-4-yl]oxyethanamine
CID 82692276
6-[4-(2-aminoethoxy)piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
CID 82688178
2-(1-quinoxalin-2-ylpiperidin-4-yl)oxyethanamine
CID 82692840
1-(5-tert-butyl-2-pyridinyl)-N-ethylpiperidin-4-amine
CID 107874233
2-[1-(6-ethoxypyrazin-2-yl)piperidin-4-yl]oxyethanamine
CID 82693310
6-(4-ethoxypiperidin-1-yl)pyridin-3-amine
CID 61220344
5-tert-butyl-2-[4-(1-chloroethyl)piperidin-1-yl]pyridine
CID 107875656
1-(5-tert-butyl-2-pyridinyl)-N-propylpiperidin-4-amine
CID 107874234
1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine
CID 58798727
1-(5-tert-butyl-2-pyridinyl)-4-ethylpiperazine
CID 59019183
3-[4-(5-tert-butyl-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-amine
CID 107874264

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-tert-butyl-2-pyridinyl)piperidin-4-yl]oxyethanamine?
The IUPAC name of 2-[1-(5-tert-butyl-2-pyridinyl)piperidin-4-yl]oxyethanamine (CID 107875698) is 2-[1-(5-tert-butyl-2-pyridinyl)piperidin-4-yl]oxyethanamine.
What is the SMILES notation for 2-[1-(5-tert-butyl-2-pyridinyl)piperidin-4-yl]oxyethanamine?
The canonical SMILES for 2-[1-(5-tert-butyl-2-pyridinyl)piperidin-4-yl]oxyethanamine is CC(C)(C)c1ccc(N2CCC(OCCN)CC2)nc1.
What is the InChIKey of 2-[1-(5-tert-butyl-2-pyridinyl)piperidin-4-yl]oxyethanamine?
The InChIKey is VMBJOIRLSIJEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-16(2,3)13-4-5-15(18-12-13)19-9-6-14(7-10-19)20-11-8-17/h4-5,12,14H,6-11,17H2,1-3H3.
What are the key properties of 2-[1-(5-tert-butyl-2-pyridinyl)piperidin-4-yl]oxyethanamine?
2-[1-(5-tert-butyl-2-pyridinyl)piperidin-4-yl]oxyethanamine has a molecular weight of 277.41 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-tert-butyl-2-pyridinyl)piperidin-4-yl]oxyethanamine is sourced from PubChem (CID 107875698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).