[2,2-dimethyl-1-[1-[2-(4-phenylphenyl)propan-2-yl]piperidin-4-yl]propyl]carbamic acid

C26H36N2O2 — CID 66989542

IUPAC[2,2-dimethyl-1-[1-[2-(4-phenylphenyl)propan-2-yl]piperidin-4-yl]propyl]carbamic acid
SMILESCC(C)(C)C(NC(=O)O)C1CCN(C(C)(C)c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C26H36N2O2/c1-25(2,3)23(27-24(29)30)21-15-17-28(18-16-21)26(4,5)22-13-11-20(12-14-22)19-9-7-6-8-10-19/h6-14,21,23,27H,15-18H2,1-5H3,(H,29,30)
InChIKeyQQHBIXZNGWFKEB-UHFFFAOYSA-N
MW408.59 g/mol
LogP5.98
Rot. Bonds5

About [2,2-dimethyl-1-[1-[2-(4-phenylphenyl)propan-2-yl]piperidin-4-yl]propyl]carbamic acid

[2,2-dimethyl-1-[1-[2-(4-phenylphenyl)propan-2-yl]piperidin-4-yl]propyl]carbamic acid (PubChem CID 66989542) has the molecular formula C26H36N2O2 and a molecular weight of 408.59 g/mol. Its IUPAC name is [2,2-dimethyl-1-[1-[2-(4-phenylphenyl)propan-2-yl]piperidin-4-yl]propyl]carbamic acid.

Molecular Properties

Compound Name[2,2-dimethyl-1-[1-[2-(4-phenylphenyl)propan-2-yl]piperidin-4-yl]propyl]carbamic acid
PubChem CID66989542
Molecular FormulaC26H36N2O2
Molecular Weight408.59 g/mol
Exact Mass408.28
IUPAC Name[2,2-dimethyl-1-[1-[2-(4-phenylphenyl)propan-2-yl]piperidin-4-yl]propyl]carbamic acid
SMILESCC(C)(C)C(NC(=O)O)C1CCN(C(C)(C)c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C26H36N2O2/c1-25(2,3)23(27-24(29)30)21-15-17-28(18-16-21)26(4,5)22-13-11-20(12-14-22)19-9-7-6-8-10-19/h6-14,21,23,27H,15-18H2,1-5H3,(H,29,30)
InChIKeyQQHBIXZNGWFKEB-UHFFFAOYSA-N
XLogP5.98
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.59
LogP ≤ 55.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2,2-dimethyl-1-[1-[2-(4-phenylphenyl)propan-2-yl]piperidin-4-yl]propyl]carbamic acid?
The IUPAC name of [2,2-dimethyl-1-[1-[2-(4-phenylphenyl)propan-2-yl]piperidin-4-yl]propyl]carbamic acid (CID 66989542) is [2,2-dimethyl-1-[1-[2-(4-phenylphenyl)propan-2-yl]piperidin-4-yl]propyl]carbamic acid.
What is the SMILES notation for [2,2-dimethyl-1-[1-[2-(4-phenylphenyl)propan-2-yl]piperidin-4-yl]propyl]carbamic acid?
The canonical SMILES for [2,2-dimethyl-1-[1-[2-(4-phenylphenyl)propan-2-yl]piperidin-4-yl]propyl]carbamic acid is CC(C)(C)C(NC(=O)O)C1CCN(C(C)(C)c2ccc(-c3ccccc3)cc2)CC1.
What is the InChIKey of [2,2-dimethyl-1-[1-[2-(4-phenylphenyl)propan-2-yl]piperidin-4-yl]propyl]carbamic acid?
The InChIKey is QQHBIXZNGWFKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O2/c1-25(2,3)23(27-24(29)30)21-15-17-28(18-16-21)26(4,5)22-13-11-20(12-14-22)19-9-7-6-8-10-19/h6-14,21,23,27H,15-18H2,1-5H3,(H,29,30).
What are the key properties of [2,2-dimethyl-1-[1-[2-(4-phenylphenyl)propan-2-yl]piperidin-4-yl]propyl]carbamic acid?
[2,2-dimethyl-1-[1-[2-(4-phenylphenyl)propan-2-yl]piperidin-4-yl]propyl]carbamic acid has a molecular weight of 408.59 g/mol, XLogP of 5.98, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-dimethyl-1-[1-[2-(4-phenylphenyl)propan-2-yl]piperidin-4-yl]propyl]carbamic acid is sourced from PubChem (CID 66989542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).