4-ethyl-3-phenylpiperidine

C13H19N — CID 175022073

IUPAC4-ethyl-3-phenylpiperidine
SMILESCCC1CCNCC1c1ccccc1
InChIInChI=1S/C13H19N/c1-2-11-8-9-14-10-13(11)12-6-4-3-5-7-12/h3-7,11,13-14H,2,8-10H2,1H3
InChIKeyBOBIJKGEIZVWLH-UHFFFAOYSA-N
MW189.30 g/mol
LogP2.79
Rot. Bonds2

About 4-ethyl-3-phenylpiperidine

4-ethyl-3-phenylpiperidine (PubChem CID 175022073) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 4-ethyl-3-phenylpiperidine.

Molecular Properties

Compound Name4-ethyl-3-phenylpiperidine
PubChem CID175022073
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name4-ethyl-3-phenylpiperidine
SMILESCCC1CCNCC1c1ccccc1
InChIInChI=1S/C13H19N/c1-2-11-8-9-14-10-13(11)12-6-4-3-5-7-12/h3-7,11,13-14H,2,8-10H2,1H3
InChIKeyBOBIJKGEIZVWLH-UHFFFAOYSA-N
XLogP2.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-phenylpiperidine?
The IUPAC name of 4-ethyl-3-phenylpiperidine (CID 175022073) is 4-ethyl-3-phenylpiperidine.
What is the SMILES notation for 4-ethyl-3-phenylpiperidine?
The canonical SMILES for 4-ethyl-3-phenylpiperidine is CCC1CCNCC1c1ccccc1.
What is the InChIKey of 4-ethyl-3-phenylpiperidine?
The InChIKey is BOBIJKGEIZVWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-2-11-8-9-14-10-13(11)12-6-4-3-5-7-12/h3-7,11,13-14H,2,8-10H2,1H3.
What are the key properties of 4-ethyl-3-phenylpiperidine?
4-ethyl-3-phenylpiperidine has a molecular weight of 189.30 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-phenylpiperidine is sourced from PubChem (CID 175022073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).