2,6-bis[4-(dimethylamino)phenyl]-4-ethyl-3,5-dimethylpiperidin-4-ol

C25H37N3O — CID 3148801

IUPAC2,6-bis[4-(dimethylamino)phenyl]-4-ethyl-3,5-dimethylpiperidin-4-ol
SMILESCCC1(O)C(C)C(c2ccc(N(C)C)cc2)NC(c2ccc(N(C)C)cc2)C1C
InChIInChI=1S/C25H37N3O/c1-8-25(29)17(2)23(19-9-13-21(14-10-19)27(4)5)26-24(18(25)3)20-11-15-22(16-12-20)28(6)7/h9-18,23-24,26,29H,8H2,1-7H3
InChIKeyKJQBZHDKPAMYIE-UHFFFAOYSA-N
MW395.59 g/mol
LogP4.62
Rot. Bonds5

About 2,6-bis[4-(dimethylamino)phenyl]-4-ethyl-3,5-dimethylpiperidin-4-ol

2,6-bis[4-(dimethylamino)phenyl]-4-ethyl-3,5-dimethylpiperidin-4-ol (PubChem CID 3148801) has the molecular formula C25H37N3O and a molecular weight of 395.59 g/mol. Its IUPAC name is 2,6-bis[4-(dimethylamino)phenyl]-4-ethyl-3,5-dimethylpiperidin-4-ol.

Molecular Properties

Compound Name2,6-bis[4-(dimethylamino)phenyl]-4-ethyl-3,5-dimethylpiperidin-4-ol
PubChem CID3148801
Molecular FormulaC25H37N3O
Molecular Weight395.59 g/mol
Exact Mass395.29
IUPAC Name2,6-bis[4-(dimethylamino)phenyl]-4-ethyl-3,5-dimethylpiperidin-4-ol
SMILESCCC1(O)C(C)C(c2ccc(N(C)C)cc2)NC(c2ccc(N(C)C)cc2)C1C
InChIInChI=1S/C25H37N3O/c1-8-25(29)17(2)23(19-9-13-21(14-10-19)27(4)5)26-24(18(25)3)20-11-15-22(16-12-20)28(6)7/h9-18,23-24,26,29H,8H2,1-7H3
InChIKeyKJQBZHDKPAMYIE-UHFFFAOYSA-N
XLogP4.62
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.59
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis[4-(dimethylamino)phenyl]-4-ethyl-3,5-dimethylpiperidin-4-ol?
The IUPAC name of 2,6-bis[4-(dimethylamino)phenyl]-4-ethyl-3,5-dimethylpiperidin-4-ol (CID 3148801) is 2,6-bis[4-(dimethylamino)phenyl]-4-ethyl-3,5-dimethylpiperidin-4-ol.
What is the SMILES notation for 2,6-bis[4-(dimethylamino)phenyl]-4-ethyl-3,5-dimethylpiperidin-4-ol?
The canonical SMILES for 2,6-bis[4-(dimethylamino)phenyl]-4-ethyl-3,5-dimethylpiperidin-4-ol is CCC1(O)C(C)C(c2ccc(N(C)C)cc2)NC(c2ccc(N(C)C)cc2)C1C.
What is the InChIKey of 2,6-bis[4-(dimethylamino)phenyl]-4-ethyl-3,5-dimethylpiperidin-4-ol?
The InChIKey is KJQBZHDKPAMYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N3O/c1-8-25(29)17(2)23(19-9-13-21(14-10-19)27(4)5)26-24(18(25)3)20-11-15-22(16-12-20)28(6)7/h9-18,23-24,26,29H,8H2,1-7H3.
What are the key properties of 2,6-bis[4-(dimethylamino)phenyl]-4-ethyl-3,5-dimethylpiperidin-4-ol?
2,6-bis[4-(dimethylamino)phenyl]-4-ethyl-3,5-dimethylpiperidin-4-ol has a molecular weight of 395.59 g/mol, XLogP of 4.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[4-(dimethylamino)phenyl]-4-ethyl-3,5-dimethylpiperidin-4-ol is sourced from PubChem (CID 3148801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).