4-(2,6-dimethylpiperidin-1-yl)-2-(4-phenylphenyl)butan-2-ol

C23H31NO — CID 57320094

IUPAC4-(2,6-dimethylpiperidin-1-yl)-2-(4-phenylphenyl)butan-2-ol
SMILESCC1CCCC(C)N1CCC(C)(O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H31NO/c1-18-8-7-9-19(2)24(18)17-16-23(3,25)22-14-12-21(13-15-22)20-10-5-4-6-11-20/h4-6,10-15,18-19,25H,7-9,16-17H2,1-3H3
InChIKeyCKDHOCRSVSWWIJ-UHFFFAOYSA-N
MW337.51 g/mol
LogP5.21
Rot. Bonds5

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

4-(2,6-dimethylpiperidin-1-yl)-2-(4-phenylphenyl)butan-2-ol (PubChem CID 57320094) has the molecular formula C23H31NO and a molecular weight of 337.51 g/mol. Its IUPAC name is 4-(2,6-dimethylpiperidin-1-yl)-2-(4-phenylphenyl)butan-2-ol.

Molecular Properties

Compound Name4-(2,6-dimethylpiperidin-1-yl)-2-(4-phenylphenyl)butan-2-ol
PubChem CID57320094
Molecular FormulaC23H31NO
Molecular Weight337.51 g/mol
Exact Mass337.24
IUPAC Name4-(2,6-dimethylpiperidin-1-yl)-2-(4-phenylphenyl)butan-2-ol
SMILESCC1CCCC(C)N1CCC(C)(O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H31NO/c1-18-8-7-9-19(2)24(18)17-16-23(3,25)22-14-12-21(13-15-22)20-10-5-4-6-11-20/h4-6,10-15,18-19,25H,7-9,16-17H2,1-3H3
InChIKeyCKDHOCRSVSWWIJ-UHFFFAOYSA-N
XLogP5.21
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.51
LogP ≤ 55.21
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)-2-(4-phenylphenyl)butan-2-ol?
The IUPAC name of 4-(2,6-dimethylpiperidin-1-yl)-2-(4-phenylphenyl)butan-2-ol (CID 57320094) is 4-(2,6-dimethylpiperidin-1-yl)-2-(4-phenylphenyl)butan-2-ol.
What is the SMILES notation for 4-(2,6-dimethylpiperidin-1-yl)-2-(4-phenylphenyl)butan-2-ol?
The canonical SMILES for 4-(2,6-dimethylpiperidin-1-yl)-2-(4-phenylphenyl)butan-2-ol is CC1CCCC(C)N1CCC(C)(O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-(2,6-dimethylpiperidin-1-yl)-2-(4-phenylphenyl)butan-2-ol?
The InChIKey is CKDHOCRSVSWWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO/c1-18-8-7-9-19(2)24(18)17-16-23(3,25)22-14-12-21(13-15-22)20-10-5-4-6-11-20/h4-6,10-15,18-19,25H,7-9,16-17H2,1-3H3.
What are the key properties of 4-(2,6-dimethylpiperidin-1-yl)-2-(4-phenylphenyl)butan-2-ol?
4-(2,6-dimethylpiperidin-1-yl)-2-(4-phenylphenyl)butan-2-ol has a molecular weight of 337.51 g/mol, XLogP of 5.21, 5 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)-2-(4-phenylphenyl)butan-2-ol is sourced from PubChem (CID 57320094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).