[2-(6-amino-2-pyridinyl)-1-piperidin-4-ylethyl] 2,2-dimethylpropanoate

C17H27N3O2 — CID 175271375

IUPAC[2-(6-amino-2-pyridinyl)-1-piperidin-4-ylethyl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC(Cc1cccc(N)n1)C1CCNCC1
InChIInChI=1S/C17H27N3O2/c1-17(2,3)16(21)22-14(12-7-9-19-10-8-12)11-13-5-4-6-15(18)20-13/h4-6,12,14,19H,7-11H2,1-3H3,(H2,18,20)
InChIKeyMHLBIVKDBJWDKL-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.16
Rot. Bonds4

About [2-(6-amino-2-pyridinyl)-1-piperidin-4-ylethyl] 2,2-dimethylpropanoate

[2-(6-amino-2-pyridinyl)-1-piperidin-4-ylethyl] 2,2-dimethylpropanoate (PubChem CID 175271375) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is [2-(6-amino-2-pyridinyl)-1-piperidin-4-ylethyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[2-(6-amino-2-pyridinyl)-1-piperidin-4-ylethyl] 2,2-dimethylpropanoate
PubChem CID175271375
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name[2-(6-amino-2-pyridinyl)-1-piperidin-4-ylethyl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC(Cc1cccc(N)n1)C1CCNCC1
InChIInChI=1S/C17H27N3O2/c1-17(2,3)16(21)22-14(12-7-9-19-10-8-12)11-13-5-4-6-15(18)20-13/h4-6,12,14,19H,7-11H2,1-3H3,(H2,18,20)
InChIKeyMHLBIVKDBJWDKL-UHFFFAOYSA-N
XLogP2.16
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(6-amino-2-pyridinyl)-1-piperidin-4-ylethyl] 2,2-dimethylpropanoate?
The IUPAC name of [2-(6-amino-2-pyridinyl)-1-piperidin-4-ylethyl] 2,2-dimethylpropanoate (CID 175271375) is [2-(6-amino-2-pyridinyl)-1-piperidin-4-ylethyl] 2,2-dimethylpropanoate.
What is the SMILES notation for [2-(6-amino-2-pyridinyl)-1-piperidin-4-ylethyl] 2,2-dimethylpropanoate?
The canonical SMILES for [2-(6-amino-2-pyridinyl)-1-piperidin-4-ylethyl] 2,2-dimethylpropanoate is CC(C)(C)C(=O)OC(Cc1cccc(N)n1)C1CCNCC1.
What is the InChIKey of [2-(6-amino-2-pyridinyl)-1-piperidin-4-ylethyl] 2,2-dimethylpropanoate?
The InChIKey is MHLBIVKDBJWDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-17(2,3)16(21)22-14(12-7-9-19-10-8-12)11-13-5-4-6-15(18)20-13/h4-6,12,14,19H,7-11H2,1-3H3,(H2,18,20).
What are the key properties of [2-(6-amino-2-pyridinyl)-1-piperidin-4-ylethyl] 2,2-dimethylpropanoate?
[2-(6-amino-2-pyridinyl)-1-piperidin-4-ylethyl] 2,2-dimethylpropanoate has a molecular weight of 305.42 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-amino-2-pyridinyl)-1-piperidin-4-ylethyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 175271375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).