(3R,5R)-1-(4-ethylphenyl)-3,5-dimethylpiperidine

C15H23N — CID 59545269

IUPAC(3R,5R)-1-(4-ethylphenyl)-3,5-dimethylpiperidine
SMILESCCc1ccc(N2C[C@H](C)C[C@@H](C)C2)cc1
InChIInChI=1S/C15H23N/c1-4-14-5-7-15(8-6-14)16-10-12(2)9-13(3)11-16/h5-8,12-13H,4,9-11H2,1-3H3/t12-,13-/m1/s1
InChIKeyBKAGCBRTVANQEW-CHWSQXEVSA-N
MW217.36 g/mol
LogP3.73
Rot. Bonds2

About (3R,5R)-1-(4-ethylphenyl)-3,5-dimethylpiperidine

(3R,5R)-1-(4-ethylphenyl)-3,5-dimethylpiperidine (PubChem CID 59545269) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is (3R,5R)-1-(4-ethylphenyl)-3,5-dimethylpiperidine.

Molecular Properties

Compound Name(3R,5R)-1-(4-ethylphenyl)-3,5-dimethylpiperidine
PubChem CID59545269
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name(3R,5R)-1-(4-ethylphenyl)-3,5-dimethylpiperidine
SMILESCCc1ccc(N2C[C@H](C)C[C@@H](C)C2)cc1
InChIInChI=1S/C15H23N/c1-4-14-5-7-15(8-6-14)16-10-12(2)9-13(3)11-16/h5-8,12-13H,4,9-11H2,1-3H3/t12-,13-/m1/s1
InChIKeyBKAGCBRTVANQEW-CHWSQXEVSA-N
XLogP3.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R,5R)-1-(4-ethylphenyl)-3,5-dimethylpiperidine?
The IUPAC name of (3R,5R)-1-(4-ethylphenyl)-3,5-dimethylpiperidine (CID 59545269) is (3R,5R)-1-(4-ethylphenyl)-3,5-dimethylpiperidine.
What is the SMILES notation for (3R,5R)-1-(4-ethylphenyl)-3,5-dimethylpiperidine?
The canonical SMILES for (3R,5R)-1-(4-ethylphenyl)-3,5-dimethylpiperidine is CCc1ccc(N2C[C@H](C)C[C@@H](C)C2)cc1.
What is the InChIKey of (3R,5R)-1-(4-ethylphenyl)-3,5-dimethylpiperidine?
The InChIKey is BKAGCBRTVANQEW-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H23N/c1-4-14-5-7-15(8-6-14)16-10-12(2)9-13(3)11-16/h5-8,12-13H,4,9-11H2,1-3H3/t12-,13-/m1/s1.
What are the key properties of (3R,5R)-1-(4-ethylphenyl)-3,5-dimethylpiperidine?
(3R,5R)-1-(4-ethylphenyl)-3,5-dimethylpiperidine has a molecular weight of 217.36 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-1-(4-ethylphenyl)-3,5-dimethylpiperidine is sourced from PubChem (CID 59545269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).