4-(3-fluoro-2-methylpiperidin-2-yl)phenol;hydrochloride

C12H17ClFNO — CID 115045704

IUPAC4-(3-fluoro-2-methylpiperidin-2-yl)phenol;hydrochloride
SMILESCC1(c2ccc(O)cc2)NCCCC1F.Cl
InChIInChI=1S/C12H16FNO.ClH/c1-12(11(13)3-2-8-14-12)9-4-6-10(15)7-5-9;/h4-7,11,14-15H,2-3,8H2,1H3;1H
InChIKeyHXBGHDFDOBUGDP-UHFFFAOYSA-N
MW245.72 g/mol
LogP2.75
Rot. Bonds1

About 4-(3-fluoro-2-methylpiperidin-2-yl)phenol;hydrochloride

4-(3-fluoro-2-methylpiperidin-2-yl)phenol;hydrochloride (PubChem CID 115045704) has the molecular formula C12H17ClFNO and a molecular weight of 245.72 g/mol. Its IUPAC name is 4-(3-fluoro-2-methylpiperidin-2-yl)phenol;hydrochloride.

Molecular Properties

Compound Name4-(3-fluoro-2-methylpiperidin-2-yl)phenol;hydrochloride
PubChem CID115045704
Molecular FormulaC12H17ClFNO
Molecular Weight245.72 g/mol
Exact Mass245.10
IUPAC Name4-(3-fluoro-2-methylpiperidin-2-yl)phenol;hydrochloride
SMILESCC1(c2ccc(O)cc2)NCCCC1F.Cl
InChIInChI=1S/C12H16FNO.ClH/c1-12(11(13)3-2-8-14-12)9-4-6-10(15)7-5-9;/h4-7,11,14-15H,2-3,8H2,1H3;1H
InChIKeyHXBGHDFDOBUGDP-UHFFFAOYSA-N
XLogP2.75
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.72
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-fluoro-2-methylpyrrolidin-2-yl)phenol;hydrochloride
CID 115038604
2-(4-chlorophenyl)-3-fluoro-2-methylpyrrolidine
CID 115028533
2-(4-fluorophenyl)-2-methylpiperidin-3-ol
CID 115026400
2-(4-bromophenyl)-2-methylpiperidin-3-ol
CID 115050363
4-(2-methylpyrrolidin-2-yl)phenol
CID 82599572
3-fluoro-2-methyl-2-(3-methylphenyl)pyrrolidine;hydrochloride
CID 115037533
2-(3-bromophenyl)-3-fluoro-2-methylpyrrolidine;hydrochloride
CID 115053306
2-(4-methoxyphenyl)-2-methylpiperidin-3-ol
CID 115032686
4-(2-propan-2-ylpyrrolidin-2-yl)phenol
CID 115058626
4-(2-methylazepan-2-yl)phenol
CID 115059442
4-(2-propan-2-ylpiperidin-2-yl)phenol
CID 115058712
2-(3-bromophenyl)-2-methylpiperidin-3-ol;hydrochloride
CID 115054403

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-2-methylpiperidin-2-yl)phenol;hydrochloride?
The IUPAC name of 4-(3-fluoro-2-methylpiperidin-2-yl)phenol;hydrochloride (CID 115045704) is 4-(3-fluoro-2-methylpiperidin-2-yl)phenol;hydrochloride.
What is the SMILES notation for 4-(3-fluoro-2-methylpiperidin-2-yl)phenol;hydrochloride?
The canonical SMILES for 4-(3-fluoro-2-methylpiperidin-2-yl)phenol;hydrochloride is CC1(c2ccc(O)cc2)NCCCC1F.Cl.
What is the InChIKey of 4-(3-fluoro-2-methylpiperidin-2-yl)phenol;hydrochloride?
The InChIKey is HXBGHDFDOBUGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO.ClH/c1-12(11(13)3-2-8-14-12)9-4-6-10(15)7-5-9;/h4-7,11,14-15H,2-3,8H2,1H3;1H.
What are the key properties of 4-(3-fluoro-2-methylpiperidin-2-yl)phenol;hydrochloride?
4-(3-fluoro-2-methylpiperidin-2-yl)phenol;hydrochloride has a molecular weight of 245.72 g/mol, XLogP of 2.75, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-2-methylpiperidin-2-yl)phenol;hydrochloride is sourced from PubChem (CID 115045704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).