[5-(2,5-dimethylphenyl)piperidin-3-yl]methanol

C14H21NO — CID 117000498

IUPAC[5-(2,5-dimethylphenyl)piperidin-3-yl]methanol
SMILESCc1ccc(C)c(C2CNCC(CO)C2)c1
InChIInChI=1S/C14H21NO/c1-10-3-4-11(2)14(5-10)13-6-12(9-16)7-15-8-13/h3-5,12-13,15-16H,6-9H2,1-2H3
InChIKeyYEIVSKCBYUAGIA-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.99
Rot. Bonds2

About [5-(2,5-dimethylphenyl)piperidin-3-yl]methanol

[5-(2,5-dimethylphenyl)piperidin-3-yl]methanol (PubChem CID 117000498) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is [5-(2,5-dimethylphenyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[5-(2,5-dimethylphenyl)piperidin-3-yl]methanol
PubChem CID117000498
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name[5-(2,5-dimethylphenyl)piperidin-3-yl]methanol
SMILESCc1ccc(C)c(C2CNCC(CO)C2)c1
InChIInChI=1S/C14H21NO/c1-10-3-4-11(2)14(5-10)13-6-12(9-16)7-15-8-13/h3-5,12-13,15-16H,6-9H2,1-2H3
InChIKeyYEIVSKCBYUAGIA-UHFFFAOYSA-N
XLogP1.99
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-(2,5-dimethylphenyl)piperidin-3-yl]methanol?
The IUPAC name of [5-(2,5-dimethylphenyl)piperidin-3-yl]methanol (CID 117000498) is [5-(2,5-dimethylphenyl)piperidin-3-yl]methanol.
What is the SMILES notation for [5-(2,5-dimethylphenyl)piperidin-3-yl]methanol?
The canonical SMILES for [5-(2,5-dimethylphenyl)piperidin-3-yl]methanol is Cc1ccc(C)c(C2CNCC(CO)C2)c1.
What is the InChIKey of [5-(2,5-dimethylphenyl)piperidin-3-yl]methanol?
The InChIKey is YEIVSKCBYUAGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-10-3-4-11(2)14(5-10)13-6-12(9-16)7-15-8-13/h3-5,12-13,15-16H,6-9H2,1-2H3.
What are the key properties of [5-(2,5-dimethylphenyl)piperidin-3-yl]methanol?
[5-(2,5-dimethylphenyl)piperidin-3-yl]methanol has a molecular weight of 219.33 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,5-dimethylphenyl)piperidin-3-yl]methanol is sourced from PubChem (CID 117000498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).