3-methyl-4-[(2-methylphenyl)methyl]piperidin-4-ol

C14H21NO — CID 114501868

IUPAC3-methyl-4-[(2-methylphenyl)methyl]piperidin-4-ol
SMILESCc1ccccc1CC1(O)CCNCC1C
InChIInChI=1S/C14H21NO/c1-11-5-3-4-6-13(11)9-14(16)7-8-15-10-12(14)2/h3-6,12,15-16H,7-10H2,1-2H3
InChIKeyZQKNUFFMYULABB-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.90
Rot. Bonds2

About 3-methyl-4-[(2-methylphenyl)methyl]piperidin-4-ol

3-methyl-4-[(2-methylphenyl)methyl]piperidin-4-ol (PubChem CID 114501868) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 3-methyl-4-[(2-methylphenyl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name3-methyl-4-[(2-methylphenyl)methyl]piperidin-4-ol
PubChem CID114501868
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name3-methyl-4-[(2-methylphenyl)methyl]piperidin-4-ol
SMILESCc1ccccc1CC1(O)CCNCC1C
InChIInChI=1S/C14H21NO/c1-11-5-3-4-6-13(11)9-14(16)7-8-15-10-12(14)2/h3-6,12,15-16H,7-10H2,1-2H3
InChIKeyZQKNUFFMYULABB-UHFFFAOYSA-N
XLogP1.90
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 ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(2-methylphenyl)methyl]piperidin-4-ol?
The IUPAC name of 3-methyl-4-[(2-methylphenyl)methyl]piperidin-4-ol (CID 114501868) is 3-methyl-4-[(2-methylphenyl)methyl]piperidin-4-ol.
What is the SMILES notation for 3-methyl-4-[(2-methylphenyl)methyl]piperidin-4-ol?
The canonical SMILES for 3-methyl-4-[(2-methylphenyl)methyl]piperidin-4-ol is Cc1ccccc1CC1(O)CCNCC1C.
What is the InChIKey of 3-methyl-4-[(2-methylphenyl)methyl]piperidin-4-ol?
The InChIKey is ZQKNUFFMYULABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-11-5-3-4-6-13(11)9-14(16)7-8-15-10-12(14)2/h3-6,12,15-16H,7-10H2,1-2H3.
What are the key properties of 3-methyl-4-[(2-methylphenyl)methyl]piperidin-4-ol?
3-methyl-4-[(2-methylphenyl)methyl]piperidin-4-ol has a molecular weight of 219.33 g/mol, XLogP of 1.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(2-methylphenyl)methyl]piperidin-4-ol is sourced from PubChem (CID 114501868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).