(2R)-2-[bis(4-propan-2-ylphenyl)methyl]piperidine

C24H33N — CID 59628791

IUPAC(2R)-2-[bis(4-propan-2-ylphenyl)methyl]piperidine
SMILESCC(C)c1ccc(C(c2ccc(C(C)C)cc2)[C@H]2CCCCN2)cc1
InChIInChI=1S/C24H33N/c1-17(2)19-8-12-21(13-9-19)24(23-7-5-6-16-25-23)22-14-10-20(11-15-22)18(3)4/h8-15,17-18,23-25H,5-7,16H2,1-4H3/t23-/m1/s1
InChIKeyHDACYRBSQAEPNM-HSZRJFAPSA-N
MW335.54 g/mol
LogP6.21
Rot. Bonds5

About (2R)-2-[bis(4-propan-2-ylphenyl)methyl]piperidine

(2R)-2-[bis(4-propan-2-ylphenyl)methyl]piperidine (PubChem CID 59628791) has the molecular formula C24H33N and a molecular weight of 335.54 g/mol. Its IUPAC name is (2R)-2-[bis(4-propan-2-ylphenyl)methyl]piperidine.

Molecular Properties

Compound Name(2R)-2-[bis(4-propan-2-ylphenyl)methyl]piperidine
PubChem CID59628791
Molecular FormulaC24H33N
Molecular Weight335.54 g/mol
Exact Mass335.26
IUPAC Name(2R)-2-[bis(4-propan-2-ylphenyl)methyl]piperidine
SMILESCC(C)c1ccc(C(c2ccc(C(C)C)cc2)[C@H]2CCCCN2)cc1
InChIInChI=1S/C24H33N/c1-17(2)19-8-12-21(13-9-19)24(23-7-5-6-16-25-23)22-14-10-20(11-15-22)18(3)4/h8-15,17-18,23-25H,5-7,16H2,1-4H3/t23-/m1/s1
InChIKeyHDACYRBSQAEPNM-HSZRJFAPSA-N
XLogP6.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.54
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[bis(4-propan-2-ylphenyl)methyl]piperidine?
The IUPAC name of (2R)-2-[bis(4-propan-2-ylphenyl)methyl]piperidine (CID 59628791) is (2R)-2-[bis(4-propan-2-ylphenyl)methyl]piperidine.
What is the SMILES notation for (2R)-2-[bis(4-propan-2-ylphenyl)methyl]piperidine?
The canonical SMILES for (2R)-2-[bis(4-propan-2-ylphenyl)methyl]piperidine is CC(C)c1ccc(C(c2ccc(C(C)C)cc2)[C@H]2CCCCN2)cc1.
What is the InChIKey of (2R)-2-[bis(4-propan-2-ylphenyl)methyl]piperidine?
The InChIKey is HDACYRBSQAEPNM-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H33N/c1-17(2)19-8-12-21(13-9-19)24(23-7-5-6-16-25-23)22-14-10-20(11-15-22)18(3)4/h8-15,17-18,23-25H,5-7,16H2,1-4H3/t23-/m1/s1.
What are the key properties of (2R)-2-[bis(4-propan-2-ylphenyl)methyl]piperidine?
(2R)-2-[bis(4-propan-2-ylphenyl)methyl]piperidine has a molecular weight of 335.54 g/mol, XLogP of 6.21, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[bis(4-propan-2-ylphenyl)methyl]piperidine is sourced from PubChem (CID 59628791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).