2-ethyl-1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidine

C17H27NO — CID 2845979

IUPAC2-ethyl-1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidine
SMILESCCC1CCCCN1Cc1ccc(OC)c(C)c1C
InChIInChI=1S/C17H27NO/c1-5-16-8-6-7-11-18(16)12-15-9-10-17(19-4)14(3)13(15)2/h9-10,16H,5-8,11-12H2,1-4H3
InChIKeyKVBAQYHCSLBGOU-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.08
Rot. Bonds4

About 2-ethyl-1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidine

2-ethyl-1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidine (PubChem CID 2845979) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-ethyl-1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidine.

Molecular Properties

Compound Name2-ethyl-1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidine
PubChem CID2845979
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-ethyl-1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidine
SMILESCCC1CCCCN1Cc1ccc(OC)c(C)c1C
InChIInChI=1S/C17H27NO/c1-5-16-8-6-7-11-18(16)12-15-9-10-17(19-4)14(3)13(15)2/h9-10,16H,5-8,11-12H2,1-4H3
InChIKeyKVBAQYHCSLBGOU-UHFFFAOYSA-N
XLogP4.08
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidine?
The IUPAC name of 2-ethyl-1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidine (CID 2845979) is 2-ethyl-1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidine.
What is the SMILES notation for 2-ethyl-1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidine?
The canonical SMILES for 2-ethyl-1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidine is CCC1CCCCN1Cc1ccc(OC)c(C)c1C.
What is the InChIKey of 2-ethyl-1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidine?
The InChIKey is KVBAQYHCSLBGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-5-16-8-6-7-11-18(16)12-15-9-10-17(19-4)14(3)13(15)2/h9-10,16H,5-8,11-12H2,1-4H3.
What are the key properties of 2-ethyl-1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidine?
2-ethyl-1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidine has a molecular weight of 261.41 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidine is sourced from PubChem (CID 2845979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).