1-[3-ethyl-3-(4-methylphenyl)hexyl]-2,6-dimethylpiperidine

C22H37N — CID 142832915

IUPAC1-[3-ethyl-3-(4-methylphenyl)hexyl]-2,6-dimethylpiperidine
SMILESCCCC(CC)(CCN1C(C)CCCC1C)c1ccc(C)cc1
InChIInChI=1S/C22H37N/c1-6-15-22(7-2,21-13-11-18(3)12-14-21)16-17-23-19(4)9-8-10-20(23)5/h11-14,19-20H,6-10,15-17H2,1-5H3
InChIKeyFHRKMAIBBJQVPF-UHFFFAOYSA-N
MW315.55 g/mol
LogP6.10
Rot. Bonds7

About 1-[3-ethyl-3-(4-methylphenyl)hexyl]-2,6-dimethylpiperidine

1-[3-ethyl-3-(4-methylphenyl)hexyl]-2,6-dimethylpiperidine (PubChem CID 142832915) has the molecular formula C22H37N and a molecular weight of 315.55 g/mol. Its IUPAC name is 1-[3-ethyl-3-(4-methylphenyl)hexyl]-2,6-dimethylpiperidine.

Molecular Properties

Compound Name1-[3-ethyl-3-(4-methylphenyl)hexyl]-2,6-dimethylpiperidine
PubChem CID142832915
Molecular FormulaC22H37N
Molecular Weight315.55 g/mol
Exact Mass315.29
IUPAC Name1-[3-ethyl-3-(4-methylphenyl)hexyl]-2,6-dimethylpiperidine
SMILESCCCC(CC)(CCN1C(C)CCCC1C)c1ccc(C)cc1
InChIInChI=1S/C22H37N/c1-6-15-22(7-2,21-13-11-18(3)12-14-21)16-17-23-19(4)9-8-10-20(23)5/h11-14,19-20H,6-10,15-17H2,1-5H3
InChIKeyFHRKMAIBBJQVPF-UHFFFAOYSA-N
XLogP6.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.55
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[3-ethyl-3-(4-methylphenyl)hexyl]-2,6-dimethylpiperidine?
The IUPAC name of 1-[3-ethyl-3-(4-methylphenyl)hexyl]-2,6-dimethylpiperidine (CID 142832915) is 1-[3-ethyl-3-(4-methylphenyl)hexyl]-2,6-dimethylpiperidine.
What is the SMILES notation for 1-[3-ethyl-3-(4-methylphenyl)hexyl]-2,6-dimethylpiperidine?
The canonical SMILES for 1-[3-ethyl-3-(4-methylphenyl)hexyl]-2,6-dimethylpiperidine is CCCC(CC)(CCN1C(C)CCCC1C)c1ccc(C)cc1.
What is the InChIKey of 1-[3-ethyl-3-(4-methylphenyl)hexyl]-2,6-dimethylpiperidine?
The InChIKey is FHRKMAIBBJQVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N/c1-6-15-22(7-2,21-13-11-18(3)12-14-21)16-17-23-19(4)9-8-10-20(23)5/h11-14,19-20H,6-10,15-17H2,1-5H3.
What are the key properties of 1-[3-ethyl-3-(4-methylphenyl)hexyl]-2,6-dimethylpiperidine?
1-[3-ethyl-3-(4-methylphenyl)hexyl]-2,6-dimethylpiperidine has a molecular weight of 315.55 g/mol, XLogP of 6.10, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethyl-3-(4-methylphenyl)hexyl]-2,6-dimethylpiperidine is sourced from PubChem (CID 142832915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).