[1-(2-amino-4-pyridinyl)piperidin-4-yl] carbamate

C11H16N4O2 — CID 175111537

IUPAC[1-(2-amino-4-pyridinyl)piperidin-4-yl] carbamate
SMILESNC(=O)OC1CCN(c2ccnc(N)c2)CC1
InChIInChI=1S/C11H16N4O2/c12-10-7-8(1-4-14-10)15-5-2-9(3-6-15)17-11(13)16/h1,4,7,9H,2-3,5-6H2,(H2,12,14)(H2,13,16)
InChIKeyBQLXSPVABLVZKR-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.73
Rot. Bonds2

About [1-(2-amino-4-pyridinyl)piperidin-4-yl] carbamate

[1-(2-amino-4-pyridinyl)piperidin-4-yl] carbamate (PubChem CID 175111537) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is [1-(2-amino-4-pyridinyl)piperidin-4-yl] carbamate.

Molecular Properties

Compound Name[1-(2-amino-4-pyridinyl)piperidin-4-yl] carbamate
PubChem CID175111537
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name[1-(2-amino-4-pyridinyl)piperidin-4-yl] carbamate
SMILESNC(=O)OC1CCN(c2ccnc(N)c2)CC1
InChIInChI=1S/C11H16N4O2/c12-10-7-8(1-4-14-10)15-5-2-9(3-6-15)17-11(13)16/h1,4,7,9H,2-3,5-6H2,(H2,12,14)(H2,13,16)
InChIKeyBQLXSPVABLVZKR-UHFFFAOYSA-N
XLogP0.73
TPSA94.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(2-amino-4-pyridinyl)piperidin-4-yl] carbamate?
The IUPAC name of [1-(2-amino-4-pyridinyl)piperidin-4-yl] carbamate (CID 175111537) is [1-(2-amino-4-pyridinyl)piperidin-4-yl] carbamate.
What is the SMILES notation for [1-(2-amino-4-pyridinyl)piperidin-4-yl] carbamate?
The canonical SMILES for [1-(2-amino-4-pyridinyl)piperidin-4-yl] carbamate is NC(=O)OC1CCN(c2ccnc(N)c2)CC1.
What is the InChIKey of [1-(2-amino-4-pyridinyl)piperidin-4-yl] carbamate?
The InChIKey is BQLXSPVABLVZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c12-10-7-8(1-4-14-10)15-5-2-9(3-6-15)17-11(13)16/h1,4,7,9H,2-3,5-6H2,(H2,12,14)(H2,13,16).
What are the key properties of [1-(2-amino-4-pyridinyl)piperidin-4-yl] carbamate?
[1-(2-amino-4-pyridinyl)piperidin-4-yl] carbamate has a molecular weight of 236.27 g/mol, XLogP of 0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-amino-4-pyridinyl)piperidin-4-yl] carbamate is sourced from PubChem (CID 175111537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).