4-benzhydryl-1-benzyl-2-tert-butylpiperidin-4-ol

C29H35NO — CID 58742010

IUPAC4-benzhydryl-1-benzyl-2-tert-butylpiperidin-4-ol
SMILESCC(C)(C)C1CC(O)(C(c2ccccc2)c2ccccc2)CCN1Cc1ccccc1
InChIInChI=1S/C29H35NO/c1-28(2,3)26-21-29(31,19-20-30(26)22-23-13-7-4-8-14-23)27(24-15-9-5-10-16-24)25-17-11-6-12-18-25/h4-18,26-27,31H,19-22H2,1-3H3
InChIKeyRXHAVNCOEIGCCT-UHFFFAOYSA-N
MW413.61 g/mol
LogP6.26
Rot. Bonds5

About 4-benzhydryl-1-benzyl-2-tert-butylpiperidin-4-ol

4-benzhydryl-1-benzyl-2-tert-butylpiperidin-4-ol (PubChem CID 58742010) has the molecular formula C29H35NO and a molecular weight of 413.61 g/mol. Its IUPAC name is 4-benzhydryl-1-benzyl-2-tert-butylpiperidin-4-ol.

Molecular Properties

Compound Name4-benzhydryl-1-benzyl-2-tert-butylpiperidin-4-ol
PubChem CID58742010
Molecular FormulaC29H35NO
Molecular Weight413.61 g/mol
Exact Mass413.27
IUPAC Name4-benzhydryl-1-benzyl-2-tert-butylpiperidin-4-ol
SMILESCC(C)(C)C1CC(O)(C(c2ccccc2)c2ccccc2)CCN1Cc1ccccc1
InChIInChI=1S/C29H35NO/c1-28(2,3)26-21-29(31,19-20-30(26)22-23-13-7-4-8-14-23)27(24-15-9-5-10-16-24)25-17-11-6-12-18-25/h4-18,26-27,31H,19-22H2,1-3H3
InChIKeyRXHAVNCOEIGCCT-UHFFFAOYSA-N
XLogP6.26
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.61
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-benzhydryl-1-benzyl-2-tert-butylpiperidin-4-ol?
The IUPAC name of 4-benzhydryl-1-benzyl-2-tert-butylpiperidin-4-ol (CID 58742010) is 4-benzhydryl-1-benzyl-2-tert-butylpiperidin-4-ol.
What is the SMILES notation for 4-benzhydryl-1-benzyl-2-tert-butylpiperidin-4-ol?
The canonical SMILES for 4-benzhydryl-1-benzyl-2-tert-butylpiperidin-4-ol is CC(C)(C)C1CC(O)(C(c2ccccc2)c2ccccc2)CCN1Cc1ccccc1.
What is the InChIKey of 4-benzhydryl-1-benzyl-2-tert-butylpiperidin-4-ol?
The InChIKey is RXHAVNCOEIGCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35NO/c1-28(2,3)26-21-29(31,19-20-30(26)22-23-13-7-4-8-14-23)27(24-15-9-5-10-16-24)25-17-11-6-12-18-25/h4-18,26-27,31H,19-22H2,1-3H3.
What are the key properties of 4-benzhydryl-1-benzyl-2-tert-butylpiperidin-4-ol?
4-benzhydryl-1-benzyl-2-tert-butylpiperidin-4-ol has a molecular weight of 413.61 g/mol, XLogP of 6.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzhydryl-1-benzyl-2-tert-butylpiperidin-4-ol is sourced from PubChem (CID 58742010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).