ethyl 4-(oxolan-2-ylmethylamino)-1-propylpiperidine-4-carboxylate

C16H30N2O3 — CID 60993065

IUPACethyl 4-(oxolan-2-ylmethylamino)-1-propylpiperidine-4-carboxylate
SMILESCCCN1CCC(NCC2CCCO2)(C(=O)OCC)CC1
InChIInChI=1S/C16H30N2O3/c1-3-9-18-10-7-16(8-11-18,15(19)20-4-2)17-13-14-6-5-12-21-14/h14,17H,3-13H2,1-2H3
InChIKeyLAUWNQVBBBQXJG-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.56
Rot. Bonds7

About ethyl 4-(oxolan-2-ylmethylamino)-1-propylpiperidine-4-carboxylate

ethyl 4-(oxolan-2-ylmethylamino)-1-propylpiperidine-4-carboxylate (PubChem CID 60993065) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is ethyl 4-(oxolan-2-ylmethylamino)-1-propylpiperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 4-(oxolan-2-ylmethylamino)-1-propylpiperidine-4-carboxylate
PubChem CID60993065
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Nameethyl 4-(oxolan-2-ylmethylamino)-1-propylpiperidine-4-carboxylate
SMILESCCCN1CCC(NCC2CCCO2)(C(=O)OCC)CC1
InChIInChI=1S/C16H30N2O3/c1-3-9-18-10-7-16(8-11-18,15(19)20-4-2)17-13-14-6-5-12-21-14/h14,17H,3-13H2,1-2H3
InChIKeyLAUWNQVBBBQXJG-UHFFFAOYSA-N
XLogP1.56
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(oxolan-2-ylmethylamino)-1-propylpiperidine-4-carboxylate?
The IUPAC name of ethyl 4-(oxolan-2-ylmethylamino)-1-propylpiperidine-4-carboxylate (CID 60993065) is ethyl 4-(oxolan-2-ylmethylamino)-1-propylpiperidine-4-carboxylate.
What is the SMILES notation for ethyl 4-(oxolan-2-ylmethylamino)-1-propylpiperidine-4-carboxylate?
The canonical SMILES for ethyl 4-(oxolan-2-ylmethylamino)-1-propylpiperidine-4-carboxylate is CCCN1CCC(NCC2CCCO2)(C(=O)OCC)CC1.
What is the InChIKey of ethyl 4-(oxolan-2-ylmethylamino)-1-propylpiperidine-4-carboxylate?
The InChIKey is LAUWNQVBBBQXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-3-9-18-10-7-16(8-11-18,15(19)20-4-2)17-13-14-6-5-12-21-14/h14,17H,3-13H2,1-2H3.
What are the key properties of ethyl 4-(oxolan-2-ylmethylamino)-1-propylpiperidine-4-carboxylate?
ethyl 4-(oxolan-2-ylmethylamino)-1-propylpiperidine-4-carboxylate has a molecular weight of 298.43 g/mol, XLogP of 1.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(oxolan-2-ylmethylamino)-1-propylpiperidine-4-carboxylate is sourced from PubChem (CID 60993065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).