4-(2,6-dimethylpiperidin-1-yl)-1,1-diphenylbutan-1-ol

C23H31NO — CID 14810506

IUPAC4-(2,6-dimethylpiperidin-1-yl)-1,1-diphenylbutan-1-ol
SMILESCC1CCCC(C)N1CCCC(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H31NO/c1-19-11-9-12-20(2)24(19)18-10-17-23(25,21-13-5-3-6-14-21)22-15-7-4-8-16-22/h3-8,13-16,19-20,25H,9-12,17-18H2,1-2H3
InChIKeyQFRJAOXDPKHKQD-UHFFFAOYSA-N
MW337.51 g/mol
LogP4.97
Rot. Bonds6

About 4-(2,6-dimethylpiperidin-1-yl)-1,1-diphenylbutan-1-ol

4-(2,6-dimethylpiperidin-1-yl)-1,1-diphenylbutan-1-ol (PubChem CID 14810506) has the molecular formula C23H31NO and a molecular weight of 337.51 g/mol. Its IUPAC name is 4-(2,6-dimethylpiperidin-1-yl)-1,1-diphenylbutan-1-ol.

Molecular Properties

Compound Name4-(2,6-dimethylpiperidin-1-yl)-1,1-diphenylbutan-1-ol
PubChem CID14810506
Molecular FormulaC23H31NO
Molecular Weight337.51 g/mol
Exact Mass337.24
IUPAC Name4-(2,6-dimethylpiperidin-1-yl)-1,1-diphenylbutan-1-ol
SMILESCC1CCCC(C)N1CCCC(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H31NO/c1-19-11-9-12-20(2)24(19)18-10-17-23(25,21-13-5-3-6-14-21)22-15-7-4-8-16-22/h3-8,13-16,19-20,25H,9-12,17-18H2,1-2H3
InChIKeyQFRJAOXDPKHKQD-UHFFFAOYSA-N
XLogP4.97
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.51
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylpiperidin-1-yl)-1,1-diphenylbutan-1-ol?
The IUPAC name of 4-(2,6-dimethylpiperidin-1-yl)-1,1-diphenylbutan-1-ol (CID 14810506) is 4-(2,6-dimethylpiperidin-1-yl)-1,1-diphenylbutan-1-ol.
What is the SMILES notation for 4-(2,6-dimethylpiperidin-1-yl)-1,1-diphenylbutan-1-ol?
The canonical SMILES for 4-(2,6-dimethylpiperidin-1-yl)-1,1-diphenylbutan-1-ol is CC1CCCC(C)N1CCCC(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-(2,6-dimethylpiperidin-1-yl)-1,1-diphenylbutan-1-ol?
The InChIKey is QFRJAOXDPKHKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO/c1-19-11-9-12-20(2)24(19)18-10-17-23(25,21-13-5-3-6-14-21)22-15-7-4-8-16-22/h3-8,13-16,19-20,25H,9-12,17-18H2,1-2H3.
What are the key properties of 4-(2,6-dimethylpiperidin-1-yl)-1,1-diphenylbutan-1-ol?
4-(2,6-dimethylpiperidin-1-yl)-1,1-diphenylbutan-1-ol has a molecular weight of 337.51 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylpiperidin-1-yl)-1,1-diphenylbutan-1-ol is sourced from PubChem (CID 14810506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).