5-ethyl-2-[2-[(2S,5R)-5-ethyl-2-methylpiperidin-1-yl]ethyl]pyridine

C17H28N2 — CID 125487494

IUPAC5-ethyl-2-[2-[(2S,5R)-5-ethyl-2-methylpiperidin-1-yl]ethyl]pyridine
SMILESCCc1ccc(CCN2C[C@H](CC)CC[C@@H]2C)nc1
InChIInChI=1S/C17H28N2/c1-4-15-8-9-17(18-12-15)10-11-19-13-16(5-2)7-6-14(19)3/h8-9,12,14,16H,4-7,10-11,13H2,1-3H3/t14-,16+/m0/s1
InChIKeyQTPROHSMPMFRLT-GOEBONIOSA-N
MW260.43 g/mol
LogP3.70
Rot. Bonds5

About 5-ethyl-2-[2-[(2S,5R)-5-ethyl-2-methylpiperidin-1-yl]ethyl]pyridine

5-ethyl-2-[2-[(2S,5R)-5-ethyl-2-methylpiperidin-1-yl]ethyl]pyridine (PubChem CID 125487494) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 5-ethyl-2-[2-[(2S,5R)-5-ethyl-2-methylpiperidin-1-yl]ethyl]pyridine.

Molecular Properties

Compound Name5-ethyl-2-[2-[(2S,5R)-5-ethyl-2-methylpiperidin-1-yl]ethyl]pyridine
PubChem CID125487494
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name5-ethyl-2-[2-[(2S,5R)-5-ethyl-2-methylpiperidin-1-yl]ethyl]pyridine
SMILESCCc1ccc(CCN2C[C@H](CC)CC[C@@H]2C)nc1
InChIInChI=1S/C17H28N2/c1-4-15-8-9-17(18-12-15)10-11-19-13-16(5-2)7-6-14(19)3/h8-9,12,14,16H,4-7,10-11,13H2,1-3H3/t14-,16+/m0/s1
InChIKeyQTPROHSMPMFRLT-GOEBONIOSA-N
XLogP3.70
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[2-[(2S,5R)-5-ethyl-2-methylpiperidin-1-yl]ethyl]pyridine?
The IUPAC name of 5-ethyl-2-[2-[(2S,5R)-5-ethyl-2-methylpiperidin-1-yl]ethyl]pyridine (CID 125487494) is 5-ethyl-2-[2-[(2S,5R)-5-ethyl-2-methylpiperidin-1-yl]ethyl]pyridine.
What is the SMILES notation for 5-ethyl-2-[2-[(2S,5R)-5-ethyl-2-methylpiperidin-1-yl]ethyl]pyridine?
The canonical SMILES for 5-ethyl-2-[2-[(2S,5R)-5-ethyl-2-methylpiperidin-1-yl]ethyl]pyridine is CCc1ccc(CCN2C[C@H](CC)CC[C@@H]2C)nc1.
What is the InChIKey of 5-ethyl-2-[2-[(2S,5R)-5-ethyl-2-methylpiperidin-1-yl]ethyl]pyridine?
The InChIKey is QTPROHSMPMFRLT-GOEBONIOSA-N. The full InChI is InChI=1S/C17H28N2/c1-4-15-8-9-17(18-12-15)10-11-19-13-16(5-2)7-6-14(19)3/h8-9,12,14,16H,4-7,10-11,13H2,1-3H3/t14-,16+/m0/s1.
What are the key properties of 5-ethyl-2-[2-[(2S,5R)-5-ethyl-2-methylpiperidin-1-yl]ethyl]pyridine?
5-ethyl-2-[2-[(2S,5R)-5-ethyl-2-methylpiperidin-1-yl]ethyl]pyridine has a molecular weight of 260.43 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[2-[(2S,5R)-5-ethyl-2-methylpiperidin-1-yl]ethyl]pyridine is sourced from PubChem (CID 125487494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).