ethyl 4-piperidin-1-yl-5,6,7,8-tetrahydroquinoline-2-carboxylate

C17H24N2O2 — CID 167560541

IUPACethyl 4-piperidin-1-yl-5,6,7,8-tetrahydroquinoline-2-carboxylate
SMILESCCOC(=O)c1cc(N2CCCCC2)c2c(n1)CCCC2
InChIInChI=1S/C17H24N2O2/c1-2-21-17(20)15-12-16(19-10-6-3-7-11-19)13-8-4-5-9-14(13)18-15/h12H,2-11H2,1H3
InChIKeyCUVJTSQDLQKWPB-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.13
Rot. Bonds3

About ethyl 4-piperidin-1-yl-5,6,7,8-tetrahydroquinoline-2-carboxylate

ethyl 4-piperidin-1-yl-5,6,7,8-tetrahydroquinoline-2-carboxylate (PubChem CID 167560541) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is ethyl 4-piperidin-1-yl-5,6,7,8-tetrahydroquinoline-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-piperidin-1-yl-5,6,7,8-tetrahydroquinoline-2-carboxylate
PubChem CID167560541
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Nameethyl 4-piperidin-1-yl-5,6,7,8-tetrahydroquinoline-2-carboxylate
SMILESCCOC(=O)c1cc(N2CCCCC2)c2c(n1)CCCC2
InChIInChI=1S/C17H24N2O2/c1-2-21-17(20)15-12-16(19-10-6-3-7-11-19)13-8-4-5-9-14(13)18-15/h12H,2-11H2,1H3
InChIKeyCUVJTSQDLQKWPB-UHFFFAOYSA-N
XLogP3.13
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-piperidin-1-yl-5,6,7,8-tetrahydroquinoline-2-carboxylate?
The IUPAC name of ethyl 4-piperidin-1-yl-5,6,7,8-tetrahydroquinoline-2-carboxylate (CID 167560541) is ethyl 4-piperidin-1-yl-5,6,7,8-tetrahydroquinoline-2-carboxylate.
What is the SMILES notation for ethyl 4-piperidin-1-yl-5,6,7,8-tetrahydroquinoline-2-carboxylate?
The canonical SMILES for ethyl 4-piperidin-1-yl-5,6,7,8-tetrahydroquinoline-2-carboxylate is CCOC(=O)c1cc(N2CCCCC2)c2c(n1)CCCC2.
What is the InChIKey of ethyl 4-piperidin-1-yl-5,6,7,8-tetrahydroquinoline-2-carboxylate?
The InChIKey is CUVJTSQDLQKWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-2-21-17(20)15-12-16(19-10-6-3-7-11-19)13-8-4-5-9-14(13)18-15/h12H,2-11H2,1H3.
What are the key properties of ethyl 4-piperidin-1-yl-5,6,7,8-tetrahydroquinoline-2-carboxylate?
ethyl 4-piperidin-1-yl-5,6,7,8-tetrahydroquinoline-2-carboxylate has a molecular weight of 288.39 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-piperidin-1-yl-5,6,7,8-tetrahydroquinoline-2-carboxylate is sourced from PubChem (CID 167560541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).