[5-(2,4-dimethylphenyl)piperidin-2-yl]methanol

C14H21NO — CID 117000471

IUPAC[5-(2,4-dimethylphenyl)piperidin-2-yl]methanol
SMILESCc1ccc(C2CCC(CO)NC2)c(C)c1
InChIInChI=1S/C14H21NO/c1-10-3-6-14(11(2)7-10)12-4-5-13(9-16)15-8-12/h3,6-7,12-13,15-16H,4-5,8-9H2,1-2H3
InChIKeyOOBKTQMFLBDLOS-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.13
Rot. Bonds2

About [5-(2,4-dimethylphenyl)piperidin-2-yl]methanol

[5-(2,4-dimethylphenyl)piperidin-2-yl]methanol (PubChem CID 117000471) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is [5-(2,4-dimethylphenyl)piperidin-2-yl]methanol.

Molecular Properties

Compound Name[5-(2,4-dimethylphenyl)piperidin-2-yl]methanol
PubChem CID117000471
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name[5-(2,4-dimethylphenyl)piperidin-2-yl]methanol
SMILESCc1ccc(C2CCC(CO)NC2)c(C)c1
InChIInChI=1S/C14H21NO/c1-10-3-6-14(11(2)7-10)12-4-5-13(9-16)15-8-12/h3,6-7,12-13,15-16H,4-5,8-9H2,1-2H3
InChIKeyOOBKTQMFLBDLOS-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-(2,4-dimethylphenyl)piperidin-2-yl]methanol?
The IUPAC name of [5-(2,4-dimethylphenyl)piperidin-2-yl]methanol (CID 117000471) is [5-(2,4-dimethylphenyl)piperidin-2-yl]methanol.
What is the SMILES notation for [5-(2,4-dimethylphenyl)piperidin-2-yl]methanol?
The canonical SMILES for [5-(2,4-dimethylphenyl)piperidin-2-yl]methanol is Cc1ccc(C2CCC(CO)NC2)c(C)c1.
What is the InChIKey of [5-(2,4-dimethylphenyl)piperidin-2-yl]methanol?
The InChIKey is OOBKTQMFLBDLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-10-3-6-14(11(2)7-10)12-4-5-13(9-16)15-8-12/h3,6-7,12-13,15-16H,4-5,8-9H2,1-2H3.
What are the key properties of [5-(2,4-dimethylphenyl)piperidin-2-yl]methanol?
[5-(2,4-dimethylphenyl)piperidin-2-yl]methanol has a molecular weight of 219.33 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,4-dimethylphenyl)piperidin-2-yl]methanol is sourced from PubChem (CID 117000471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).