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

C24H35N3O — CID 3148799

IUPAC2,6-bis[4-(dimethylamino)phenyl]-3,4,5-trimethylpiperidin-4-ol
SMILESCC1C(c2ccc(N(C)C)cc2)NC(c2ccc(N(C)C)cc2)C(C)C1(C)O
InChIInChI=1S/C24H35N3O/c1-16-22(18-8-12-20(13-9-18)26(4)5)25-23(17(2)24(16,3)28)19-10-14-21(15-11-19)27(6)7/h8-17,22-23,25,28H,1-7H3
InChIKeyQKCUQUIHSLYBFG-UHFFFAOYSA-N
MW381.56 g/mol
LogP4.23
Rot. Bonds4

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

2,6-bis[4-(dimethylamino)phenyl]-3,4,5-trimethylpiperidin-4-ol (PubChem CID 3148799) has the molecular formula C24H35N3O and a molecular weight of 381.56 g/mol. Its IUPAC name is 2,6-bis[4-(dimethylamino)phenyl]-3,4,5-trimethylpiperidin-4-ol.

Molecular Properties

Compound Name2,6-bis[4-(dimethylamino)phenyl]-3,4,5-trimethylpiperidin-4-ol
PubChem CID3148799
Molecular FormulaC24H35N3O
Molecular Weight381.56 g/mol
Exact Mass381.28
IUPAC Name2,6-bis[4-(dimethylamino)phenyl]-3,4,5-trimethylpiperidin-4-ol
SMILESCC1C(c2ccc(N(C)C)cc2)NC(c2ccc(N(C)C)cc2)C(C)C1(C)O
InChIInChI=1S/C24H35N3O/c1-16-22(18-8-12-20(13-9-18)26(4)5)25-23(17(2)24(16,3)28)19-10-14-21(15-11-19)27(6)7/h8-17,22-23,25,28H,1-7H3
InChIKeyQKCUQUIHSLYBFG-UHFFFAOYSA-N
XLogP4.23
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.56
LogP ≤ 54.23
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]-3,4,5-trimethylpiperidin-4-ol?
The IUPAC name of 2,6-bis[4-(dimethylamino)phenyl]-3,4,5-trimethylpiperidin-4-ol (CID 3148799) is 2,6-bis[4-(dimethylamino)phenyl]-3,4,5-trimethylpiperidin-4-ol.
What is the SMILES notation for 2,6-bis[4-(dimethylamino)phenyl]-3,4,5-trimethylpiperidin-4-ol?
The canonical SMILES for 2,6-bis[4-(dimethylamino)phenyl]-3,4,5-trimethylpiperidin-4-ol is CC1C(c2ccc(N(C)C)cc2)NC(c2ccc(N(C)C)cc2)C(C)C1(C)O.
What is the InChIKey of 2,6-bis[4-(dimethylamino)phenyl]-3,4,5-trimethylpiperidin-4-ol?
The InChIKey is QKCUQUIHSLYBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O/c1-16-22(18-8-12-20(13-9-18)26(4)5)25-23(17(2)24(16,3)28)19-10-14-21(15-11-19)27(6)7/h8-17,22-23,25,28H,1-7H3.
What are the key properties of 2,6-bis[4-(dimethylamino)phenyl]-3,4,5-trimethylpiperidin-4-ol?
2,6-bis[4-(dimethylamino)phenyl]-3,4,5-trimethylpiperidin-4-ol has a molecular weight of 381.56 g/mol, XLogP of 4.23, 4 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]-3,4,5-trimethylpiperidin-4-ol is sourced from PubChem (CID 3148799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).