2,6-bis[4-(dimethylamino)phenyl]-3,5-dimethyl-4-prop-2-enylpiperidin-4-ol

C26H37N3O — CID 3148803

IUPAC2,6-bis[4-(dimethylamino)phenyl]-3,5-dimethyl-4-prop-2-enylpiperidin-4-ol
SMILESC=CCC1(O)C(C)C(c2ccc(N(C)C)cc2)NC(c2ccc(N(C)C)cc2)C1C
InChIInChI=1S/C26H37N3O/c1-8-17-26(30)18(2)24(20-9-13-22(14-10-20)28(4)5)27-25(19(26)3)21-11-15-23(16-12-21)29(6)7/h8-16,18-19,24-25,27,30H,1,17H2,2-7H3
InChIKeyLDHOBSYIOMEWGH-UHFFFAOYSA-N
MW407.60 g/mol
LogP4.78
Rot. Bonds6

About 2,6-bis[4-(dimethylamino)phenyl]-3,5-dimethyl-4-prop-2-enylpiperidin-4-ol

2,6-bis[4-(dimethylamino)phenyl]-3,5-dimethyl-4-prop-2-enylpiperidin-4-ol (PubChem CID 3148803) has the molecular formula C26H37N3O and a molecular weight of 407.60 g/mol. Its IUPAC name is 2,6-bis[4-(dimethylamino)phenyl]-3,5-dimethyl-4-prop-2-enylpiperidin-4-ol.

Molecular Properties

Compound Name2,6-bis[4-(dimethylamino)phenyl]-3,5-dimethyl-4-prop-2-enylpiperidin-4-ol
PubChem CID3148803
Molecular FormulaC26H37N3O
Molecular Weight407.60 g/mol
Exact Mass407.29
IUPAC Name2,6-bis[4-(dimethylamino)phenyl]-3,5-dimethyl-4-prop-2-enylpiperidin-4-ol
SMILESC=CCC1(O)C(C)C(c2ccc(N(C)C)cc2)NC(c2ccc(N(C)C)cc2)C1C
InChIInChI=1S/C26H37N3O/c1-8-17-26(30)18(2)24(20-9-13-22(14-10-20)28(4)5)27-25(19(26)3)21-11-15-23(16-12-21)29(6)7/h8-16,18-19,24-25,27,30H,1,17H2,2-7H3
InChIKeyLDHOBSYIOMEWGH-UHFFFAOYSA-N
XLogP4.78
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.60
LogP ≤ 54.78
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis[4-(dimethylamino)phenyl]-3,5-dimethyl-4-prop-2-enylpiperidin-4-ol?
The IUPAC name of 2,6-bis[4-(dimethylamino)phenyl]-3,5-dimethyl-4-prop-2-enylpiperidin-4-ol (CID 3148803) is 2,6-bis[4-(dimethylamino)phenyl]-3,5-dimethyl-4-prop-2-enylpiperidin-4-ol.
What is the SMILES notation for 2,6-bis[4-(dimethylamino)phenyl]-3,5-dimethyl-4-prop-2-enylpiperidin-4-ol?
The canonical SMILES for 2,6-bis[4-(dimethylamino)phenyl]-3,5-dimethyl-4-prop-2-enylpiperidin-4-ol is C=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]-3,5-dimethyl-4-prop-2-enylpiperidin-4-ol?
The InChIKey is LDHOBSYIOMEWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3O/c1-8-17-26(30)18(2)24(20-9-13-22(14-10-20)28(4)5)27-25(19(26)3)21-11-15-23(16-12-21)29(6)7/h8-16,18-19,24-25,27,30H,1,17H2,2-7H3.
What are the key properties of 2,6-bis[4-(dimethylamino)phenyl]-3,5-dimethyl-4-prop-2-enylpiperidin-4-ol?
2,6-bis[4-(dimethylamino)phenyl]-3,5-dimethyl-4-prop-2-enylpiperidin-4-ol has a molecular weight of 407.60 g/mol, XLogP of 4.78, 6 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]-3,5-dimethyl-4-prop-2-enylpiperidin-4-ol is sourced from PubChem (CID 3148803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).