2-fluoro-4-[(3-methylpiperidin-1-yl)methyl]phenol

C13H18FNO — CID 107693923

IUPAC2-fluoro-4-[(3-methylpiperidin-1-yl)methyl]phenol
SMILESCC1CCCN(Cc2ccc(O)c(F)c2)C1
InChIInChI=1S/C13H18FNO/c1-10-3-2-6-15(8-10)9-11-4-5-13(16)12(14)7-11/h4-5,7,10,16H,2-3,6,8-9H2,1H3
InChIKeyKQYNWKWMFHIYHO-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.76
Rot. Bonds2

About 2-fluoro-4-[(3-methylpiperidin-1-yl)methyl]phenol

2-fluoro-4-[(3-methylpiperidin-1-yl)methyl]phenol (PubChem CID 107693923) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 2-fluoro-4-[(3-methylpiperidin-1-yl)methyl]phenol.

Molecular Properties

Compound Name2-fluoro-4-[(3-methylpiperidin-1-yl)methyl]phenol
PubChem CID107693923
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name2-fluoro-4-[(3-methylpiperidin-1-yl)methyl]phenol
SMILESCC1CCCN(Cc2ccc(O)c(F)c2)C1
InChIInChI=1S/C13H18FNO/c1-10-3-2-6-15(8-10)9-11-4-5-13(16)12(14)7-11/h4-5,7,10,16H,2-3,6,8-9H2,1H3
InChIKeyKQYNWKWMFHIYHO-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-[(4-fluorophenyl)methyl]-3-methylpiperidine
CID 51531587
4-(azepan-1-ylmethyl)-2-fluorophenol
CID 107693924
2-fluoro-4-[(3-propoxypiperidin-1-yl)methyl]phenol
CID 107694025
3-[1-[(3-fluoro-4-hydroxyphenyl)methyl]piperidin-3-yl]butanoic acid
CID 107693829
3-[[(3R)-3-methylpiperidin-1-yl]methyl]phenol
CID 70461714
(3R)-3-methyl-1-[(4-methylphenyl)methyl]piperidine
CID 51531591
4-[[(3S)-3-methylpiperidin-1-yl]methyl]aniline
CID 28720719
1-benzyl-3-methylpiperidine
CID 2794856
2-fluoro-4-[(4-propylpiperidin-1-yl)methyl]phenol
CID 107694032
(3S)-1-[(4-tert-butylphenyl)methyl]-3-methylpiperidine
CID 158164357
1-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]ethanone
CID 142372799
2-fluoro-4-(1,4-oxazepan-4-ylmethyl)phenol
CID 107694057

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[(3-methylpiperidin-1-yl)methyl]phenol?
The IUPAC name of 2-fluoro-4-[(3-methylpiperidin-1-yl)methyl]phenol (CID 107693923) is 2-fluoro-4-[(3-methylpiperidin-1-yl)methyl]phenol.
What is the SMILES notation for 2-fluoro-4-[(3-methylpiperidin-1-yl)methyl]phenol?
The canonical SMILES for 2-fluoro-4-[(3-methylpiperidin-1-yl)methyl]phenol is CC1CCCN(Cc2ccc(O)c(F)c2)C1.
What is the InChIKey of 2-fluoro-4-[(3-methylpiperidin-1-yl)methyl]phenol?
The InChIKey is KQYNWKWMFHIYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-10-3-2-6-15(8-10)9-11-4-5-13(16)12(14)7-11/h4-5,7,10,16H,2-3,6,8-9H2,1H3.
What are the key properties of 2-fluoro-4-[(3-methylpiperidin-1-yl)methyl]phenol?
2-fluoro-4-[(3-methylpiperidin-1-yl)methyl]phenol has a molecular weight of 223.29 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[(3-methylpiperidin-1-yl)methyl]phenol is sourced from PubChem (CID 107693923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).