1-benzhydryl-4-tert-butylpiperidin-4-ol

C22H29NO — CID 10314141

IUPAC1-benzhydryl-4-tert-butylpiperidin-4-ol
SMILESCC(C)(C)C1(O)CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C22H29NO/c1-21(2,3)22(24)14-16-23(17-15-22)20(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,20,24H,14-17H2,1-3H3
InChIKeyCSHMHUZYEYOBPL-UHFFFAOYSA-N
MW323.48 g/mol
LogP4.65
Rot. Bonds3

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

1-benzhydryl-4-tert-butylpiperidin-4-ol (PubChem CID 10314141) has the molecular formula C22H29NO and a molecular weight of 323.48 g/mol. Its IUPAC name is 1-benzhydryl-4-tert-butylpiperidin-4-ol.

Molecular Properties

Compound Name1-benzhydryl-4-tert-butylpiperidin-4-ol
PubChem CID10314141
Molecular FormulaC22H29NO
Molecular Weight323.48 g/mol
Exact Mass323.22
IUPAC Name1-benzhydryl-4-tert-butylpiperidin-4-ol
SMILESCC(C)(C)C1(O)CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C22H29NO/c1-21(2,3)22(24)14-16-23(17-15-22)20(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,20,24H,14-17H2,1-3H3
InChIKeyCSHMHUZYEYOBPL-UHFFFAOYSA-N
XLogP4.65
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-4-tert-butylpiperidin-4-ol?
The IUPAC name of 1-benzhydryl-4-tert-butylpiperidin-4-ol (CID 10314141) is 1-benzhydryl-4-tert-butylpiperidin-4-ol.
What is the SMILES notation for 1-benzhydryl-4-tert-butylpiperidin-4-ol?
The canonical SMILES for 1-benzhydryl-4-tert-butylpiperidin-4-ol is CC(C)(C)C1(O)CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-benzhydryl-4-tert-butylpiperidin-4-ol?
The InChIKey is CSHMHUZYEYOBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO/c1-21(2,3)22(24)14-16-23(17-15-22)20(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,20,24H,14-17H2,1-3H3.
What are the key properties of 1-benzhydryl-4-tert-butylpiperidin-4-ol?
1-benzhydryl-4-tert-butylpiperidin-4-ol has a molecular weight of 323.48 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-4-tert-butylpiperidin-4-ol is sourced from PubChem (CID 10314141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).