3,3-dimethyl-1-(4-methylphenyl)piperidin-4-ol

C14H21NO — CID 117024204

IUPAC3,3-dimethyl-1-(4-methylphenyl)piperidin-4-ol
SMILESCc1ccc(N2CCC(O)C(C)(C)C2)cc1
InChIInChI=1S/C14H21NO/c1-11-4-6-12(7-5-11)15-9-8-13(16)14(2,3)10-15/h4-7,13,16H,8-10H2,1-3H3
InChIKeyISBUGSHMDATWJV-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.59
Rot. Bonds1

About 3,3-dimethyl-1-(4-methylphenyl)piperidin-4-ol

3,3-dimethyl-1-(4-methylphenyl)piperidin-4-ol (PubChem CID 117024204) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 3,3-dimethyl-1-(4-methylphenyl)piperidin-4-ol.

Molecular Properties

Compound Name3,3-dimethyl-1-(4-methylphenyl)piperidin-4-ol
PubChem CID117024204
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name3,3-dimethyl-1-(4-methylphenyl)piperidin-4-ol
SMILESCc1ccc(N2CCC(O)C(C)(C)C2)cc1
InChIInChI=1S/C14H21NO/c1-11-4-6-12(7-5-11)15-9-8-13(16)14(2,3)10-15/h4-7,13,16H,8-10H2,1-3H3
InChIKeyISBUGSHMDATWJV-UHFFFAOYSA-N
XLogP2.59
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(4-methylphenyl)piperidin-4-ol?
The IUPAC name of 3,3-dimethyl-1-(4-methylphenyl)piperidin-4-ol (CID 117024204) is 3,3-dimethyl-1-(4-methylphenyl)piperidin-4-ol.
What is the SMILES notation for 3,3-dimethyl-1-(4-methylphenyl)piperidin-4-ol?
The canonical SMILES for 3,3-dimethyl-1-(4-methylphenyl)piperidin-4-ol is Cc1ccc(N2CCC(O)C(C)(C)C2)cc1.
What is the InChIKey of 3,3-dimethyl-1-(4-methylphenyl)piperidin-4-ol?
The InChIKey is ISBUGSHMDATWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-11-4-6-12(7-5-11)15-9-8-13(16)14(2,3)10-15/h4-7,13,16H,8-10H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-(4-methylphenyl)piperidin-4-ol?
3,3-dimethyl-1-(4-methylphenyl)piperidin-4-ol has a molecular weight of 219.33 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(4-methylphenyl)piperidin-4-ol is sourced from PubChem (CID 117024204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).