2-[(4-fluoro-1-methylpiperidin-4-yl)methyl]phenol

C13H18FNO — CID 105480737

IUPAC2-[(4-fluoro-1-methylpiperidin-4-yl)methyl]phenol
SMILESCN1CCC(F)(Cc2ccccc2O)CC1
InChIInChI=1S/C13H18FNO/c1-15-8-6-13(14,7-9-15)10-11-4-2-3-5-12(11)16/h2-5,16H,6-10H2,1H3
InChIKeyPAJZKSJUOHQPHI-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.37
Rot. Bonds2

About 2-[(4-fluoro-1-methylpiperidin-4-yl)methyl]phenol

2-[(4-fluoro-1-methylpiperidin-4-yl)methyl]phenol (PubChem CID 105480737) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 2-[(4-fluoro-1-methylpiperidin-4-yl)methyl]phenol.

Molecular Properties

Compound Name2-[(4-fluoro-1-methylpiperidin-4-yl)methyl]phenol
PubChem CID105480737
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name2-[(4-fluoro-1-methylpiperidin-4-yl)methyl]phenol
SMILESCN1CCC(F)(Cc2ccccc2O)CC1
InChIInChI=1S/C13H18FNO/c1-15-8-6-13(14,7-9-15)10-11-4-2-3-5-12(11)16/h2-5,16H,6-10H2,1H3
InChIKeyPAJZKSJUOHQPHI-UHFFFAOYSA-N
XLogP2.37
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-1-methylpiperidin-4-yl)methyl]phenol?
The IUPAC name of 2-[(4-fluoro-1-methylpiperidin-4-yl)methyl]phenol (CID 105480737) is 2-[(4-fluoro-1-methylpiperidin-4-yl)methyl]phenol.
What is the SMILES notation for 2-[(4-fluoro-1-methylpiperidin-4-yl)methyl]phenol?
The canonical SMILES for 2-[(4-fluoro-1-methylpiperidin-4-yl)methyl]phenol is CN1CCC(F)(Cc2ccccc2O)CC1.
What is the InChIKey of 2-[(4-fluoro-1-methylpiperidin-4-yl)methyl]phenol?
The InChIKey is PAJZKSJUOHQPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-15-8-6-13(14,7-9-15)10-11-4-2-3-5-12(11)16/h2-5,16H,6-10H2,1H3.
What are the key properties of 2-[(4-fluoro-1-methylpiperidin-4-yl)methyl]phenol?
2-[(4-fluoro-1-methylpiperidin-4-yl)methyl]phenol has a molecular weight of 223.29 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-1-methylpiperidin-4-yl)methyl]phenol is sourced from PubChem (CID 105480737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).