3,5-dimethyl-2-(piperidin-1-ylmethyl)phenol

C14H21NO — CID 3051927

IUPAC3,5-dimethyl-2-(piperidin-1-ylmethyl)phenol
SMILESCc1cc(C)c(CN2CCCCC2)c(O)c1
InChIInChI=1S/C14H21NO/c1-11-8-12(2)13(14(16)9-11)10-15-6-4-3-5-7-15/h8-9,16H,3-7,10H2,1-2H3
InChIKeySIIMBZQKKVAQGS-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.99
Rot. Bonds2

About 3,5-dimethyl-2-(piperidin-1-ylmethyl)phenol

3,5-dimethyl-2-(piperidin-1-ylmethyl)phenol (PubChem CID 3051927) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 3,5-dimethyl-2-(piperidin-1-ylmethyl)phenol.

Molecular Properties

Compound Name3,5-dimethyl-2-(piperidin-1-ylmethyl)phenol
PubChem CID3051927
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name3,5-dimethyl-2-(piperidin-1-ylmethyl)phenol
SMILESCc1cc(C)c(CN2CCCCC2)c(O)c1
InChIInChI=1S/C14H21NO/c1-11-8-12(2)13(14(16)9-11)10-15-6-4-3-5-7-15/h8-9,16H,3-7,10H2,1-2H3
InChIKeySIIMBZQKKVAQGS-UHFFFAOYSA-N
XLogP2.99
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-(piperidin-1-ylmethyl)phenol?
The IUPAC name of 3,5-dimethyl-2-(piperidin-1-ylmethyl)phenol (CID 3051927) is 3,5-dimethyl-2-(piperidin-1-ylmethyl)phenol.
What is the SMILES notation for 3,5-dimethyl-2-(piperidin-1-ylmethyl)phenol?
The canonical SMILES for 3,5-dimethyl-2-(piperidin-1-ylmethyl)phenol is Cc1cc(C)c(CN2CCCCC2)c(O)c1.
What is the InChIKey of 3,5-dimethyl-2-(piperidin-1-ylmethyl)phenol?
The InChIKey is SIIMBZQKKVAQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-11-8-12(2)13(14(16)9-11)10-15-6-4-3-5-7-15/h8-9,16H,3-7,10H2,1-2H3.
What are the key properties of 3,5-dimethyl-2-(piperidin-1-ylmethyl)phenol?
3,5-dimethyl-2-(piperidin-1-ylmethyl)phenol has a molecular weight of 219.33 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-(piperidin-1-ylmethyl)phenol is sourced from PubChem (CID 3051927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).