2-(propan-2-ylamino)ethyl 2-piperidin-1-ylacetate

C12H24N2O2 — CID 21030105

IUPAC2-(propan-2-ylamino)ethyl 2-piperidin-1-ylacetate
SMILESCC(C)NCCOC(=O)CN1CCCCC1
InChIInChI=1S/C12H24N2O2/c1-11(2)13-6-9-16-12(15)10-14-7-4-3-5-8-14/h11,13H,3-10H2,1-2H3
InChIKeyBHSCOCXTLJXPGX-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.01
Rot. Bonds6

About 2-(propan-2-ylamino)ethyl 2-piperidin-1-ylacetate

2-(propan-2-ylamino)ethyl 2-piperidin-1-ylacetate (PubChem CID 21030105) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-(propan-2-ylamino)ethyl 2-piperidin-1-ylacetate.

Molecular Properties

Compound Name2-(propan-2-ylamino)ethyl 2-piperidin-1-ylacetate
PubChem CID21030105
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-(propan-2-ylamino)ethyl 2-piperidin-1-ylacetate
SMILESCC(C)NCCOC(=O)CN1CCCCC1
InChIInChI=1S/C12H24N2O2/c1-11(2)13-6-9-16-12(15)10-14-7-4-3-5-8-14/h11,13H,3-10H2,1-2H3
InChIKeyBHSCOCXTLJXPGX-UHFFFAOYSA-N
XLogP1.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylamino)ethyl 2-piperidin-1-ylacetate?
The IUPAC name of 2-(propan-2-ylamino)ethyl 2-piperidin-1-ylacetate (CID 21030105) is 2-(propan-2-ylamino)ethyl 2-piperidin-1-ylacetate.
What is the SMILES notation for 2-(propan-2-ylamino)ethyl 2-piperidin-1-ylacetate?
The canonical SMILES for 2-(propan-2-ylamino)ethyl 2-piperidin-1-ylacetate is CC(C)NCCOC(=O)CN1CCCCC1.
What is the InChIKey of 2-(propan-2-ylamino)ethyl 2-piperidin-1-ylacetate?
The InChIKey is BHSCOCXTLJXPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-11(2)13-6-9-16-12(15)10-14-7-4-3-5-8-14/h11,13H,3-10H2,1-2H3.
What are the key properties of 2-(propan-2-ylamino)ethyl 2-piperidin-1-ylacetate?
2-(propan-2-ylamino)ethyl 2-piperidin-1-ylacetate has a molecular weight of 228.34 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylamino)ethyl 2-piperidin-1-ylacetate is sourced from PubChem (CID 21030105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).