4-[[(2R,4S,5R)-4,5-diethylpiperidin-1-id-2-yl]methyl]quinoline

C19H25N2- — CID 142216900

IUPAC4-[[(2R,4S,5R)-4,5-diethylpiperidin-1-id-2-yl]methyl]quinoline
SMILESCC[C@H]1C[N-][C@@H](Cc2ccnc3ccccc23)C[C@@H]1CC
InChIInChI=1S/C19H25N2/c1-3-14-11-17(21-13-15(14)4-2)12-16-9-10-20-19-8-6-5-7-18(16)19/h5-10,14-15,17H,3-4,11-13H2,1-2H3/q-1/t14-,15-,17+/m0/s1
InChIKeyHMFVRBXGSVXVTF-YQQAZPJKSA-N
MW281.42 g/mol
LogP4.98
Rot. Bonds4

About 4-[[(2R,4S,5R)-4,5-diethylpiperidin-1-id-2-yl]methyl]quinoline

4-[[(2R,4S,5R)-4,5-diethylpiperidin-1-id-2-yl]methyl]quinoline (PubChem CID 142216900) has the molecular formula C19H25N2- and a molecular weight of 281.42 g/mol. Its IUPAC name is 4-[[(2R,4S,5R)-4,5-diethylpiperidin-1-id-2-yl]methyl]quinoline.

Molecular Properties

Compound Name4-[[(2R,4S,5R)-4,5-diethylpiperidin-1-id-2-yl]methyl]quinoline
PubChem CID142216900
Molecular FormulaC19H25N2-
Molecular Weight281.42 g/mol
Exact Mass281.20
IUPAC Name4-[[(2R,4S,5R)-4,5-diethylpiperidin-1-id-2-yl]methyl]quinoline
SMILESCC[C@H]1C[N-][C@@H](Cc2ccnc3ccccc23)C[C@@H]1CC
InChIInChI=1S/C19H25N2/c1-3-14-11-17(21-13-15(14)4-2)12-16-9-10-20-19-8-6-5-7-18(16)19/h5-10,14-15,17H,3-4,11-13H2,1-2H3/q-1/t14-,15-,17+/m0/s1
InChIKeyHMFVRBXGSVXVTF-YQQAZPJKSA-N
XLogP4.98
TPSA26.99 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2R,4S,5R)-4,5-diethylpiperidin-1-id-2-yl]methyl]quinoline?
The IUPAC name of 4-[[(2R,4S,5R)-4,5-diethylpiperidin-1-id-2-yl]methyl]quinoline (CID 142216900) is 4-[[(2R,4S,5R)-4,5-diethylpiperidin-1-id-2-yl]methyl]quinoline.
What is the SMILES notation for 4-[[(2R,4S,5R)-4,5-diethylpiperidin-1-id-2-yl]methyl]quinoline?
The canonical SMILES for 4-[[(2R,4S,5R)-4,5-diethylpiperidin-1-id-2-yl]methyl]quinoline is CC[C@H]1C[N-][C@@H](Cc2ccnc3ccccc23)C[C@@H]1CC.
What is the InChIKey of 4-[[(2R,4S,5R)-4,5-diethylpiperidin-1-id-2-yl]methyl]quinoline?
The InChIKey is HMFVRBXGSVXVTF-YQQAZPJKSA-N. The full InChI is InChI=1S/C19H25N2/c1-3-14-11-17(21-13-15(14)4-2)12-16-9-10-20-19-8-6-5-7-18(16)19/h5-10,14-15,17H,3-4,11-13H2,1-2H3/q-1/t14-,15-,17+/m0/s1.
What are the key properties of 4-[[(2R,4S,5R)-4,5-diethylpiperidin-1-id-2-yl]methyl]quinoline?
4-[[(2R,4S,5R)-4,5-diethylpiperidin-1-id-2-yl]methyl]quinoline has a molecular weight of 281.42 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R,4S,5R)-4,5-diethylpiperidin-1-id-2-yl]methyl]quinoline is sourced from PubChem (CID 142216900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).