4-(4-benzhydrylpiperidin-1-yl)-1-(4-tert-butylphenyl)butan-1-ol

C32H41NO — CID 59872275

IUPAC4-(4-benzhydrylpiperidin-1-yl)-1-(4-tert-butylphenyl)butan-1-ol
SMILESCC(C)(C)c1ccc(C(O)CCCN2CCC(C(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C32H41NO/c1-32(2,3)29-18-16-25(17-19-29)30(34)15-10-22-33-23-20-28(21-24-33)31(26-11-6-4-7-12-26)27-13-8-5-9-14-27/h4-9,11-14,16-19,28,30-31,34H,10,15,20-24H2,1-3H3
InChIKeyJKSNSYGKAXLLAM-UHFFFAOYSA-N
MW455.69 g/mol
LogP7.34
Rot. Bonds8

About 4-(4-benzhydrylpiperidin-1-yl)-1-(4-tert-butylphenyl)butan-1-ol

4-(4-benzhydrylpiperidin-1-yl)-1-(4-tert-butylphenyl)butan-1-ol (PubChem CID 59872275) has the molecular formula C32H41NO and a molecular weight of 455.69 g/mol. Its IUPAC name is 4-(4-benzhydrylpiperidin-1-yl)-1-(4-tert-butylphenyl)butan-1-ol.

Molecular Properties

Compound Name4-(4-benzhydrylpiperidin-1-yl)-1-(4-tert-butylphenyl)butan-1-ol
PubChem CID59872275
Molecular FormulaC32H41NO
Molecular Weight455.69 g/mol
Exact Mass455.32
IUPAC Name4-(4-benzhydrylpiperidin-1-yl)-1-(4-tert-butylphenyl)butan-1-ol
SMILESCC(C)(C)c1ccc(C(O)CCCN2CCC(C(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C32H41NO/c1-32(2,3)29-18-16-25(17-19-29)30(34)15-10-22-33-23-20-28(21-24-33)31(26-11-6-4-7-12-26)27-13-8-5-9-14-27/h4-9,11-14,16-19,28,30-31,34H,10,15,20-24H2,1-3H3
InChIKeyJKSNSYGKAXLLAM-UHFFFAOYSA-N
XLogP7.34
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.69
LogP ≤ 57.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-benzhydrylpiperidin-1-yl)-1-(4-tert-butylphenyl)butan-1-ol?
The IUPAC name of 4-(4-benzhydrylpiperidin-1-yl)-1-(4-tert-butylphenyl)butan-1-ol (CID 59872275) is 4-(4-benzhydrylpiperidin-1-yl)-1-(4-tert-butylphenyl)butan-1-ol.
What is the SMILES notation for 4-(4-benzhydrylpiperidin-1-yl)-1-(4-tert-butylphenyl)butan-1-ol?
The canonical SMILES for 4-(4-benzhydrylpiperidin-1-yl)-1-(4-tert-butylphenyl)butan-1-ol is CC(C)(C)c1ccc(C(O)CCCN2CCC(C(c3ccccc3)c3ccccc3)CC2)cc1.
What is the InChIKey of 4-(4-benzhydrylpiperidin-1-yl)-1-(4-tert-butylphenyl)butan-1-ol?
The InChIKey is JKSNSYGKAXLLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H41NO/c1-32(2,3)29-18-16-25(17-19-29)30(34)15-10-22-33-23-20-28(21-24-33)31(26-11-6-4-7-12-26)27-13-8-5-9-14-27/h4-9,11-14,16-19,28,30-31,34H,10,15,20-24H2,1-3H3.
What are the key properties of 4-(4-benzhydrylpiperidin-1-yl)-1-(4-tert-butylphenyl)butan-1-ol?
4-(4-benzhydrylpiperidin-1-yl)-1-(4-tert-butylphenyl)butan-1-ol has a molecular weight of 455.69 g/mol, XLogP of 7.34, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzhydrylpiperidin-1-yl)-1-(4-tert-butylphenyl)butan-1-ol is sourced from PubChem (CID 59872275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).