4-[4-(aminomethyl)-4-fluoropiperidin-1-yl]phenol

C12H17FN2O — CID 115034562

IUPAC4-[4-(aminomethyl)-4-fluoropiperidin-1-yl]phenol
SMILESNCC1(F)CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C12H17FN2O/c13-12(9-14)5-7-15(8-6-12)10-1-3-11(16)4-2-10/h1-4,16H,5-9,14H2
InChIKeyGIXUJROENIBLDY-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.66
Rot. Bonds2

About 4-[4-(aminomethyl)-4-fluoropiperidin-1-yl]phenol

4-[4-(aminomethyl)-4-fluoropiperidin-1-yl]phenol (PubChem CID 115034562) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is 4-[4-(aminomethyl)-4-fluoropiperidin-1-yl]phenol.

Molecular Properties

Compound Name4-[4-(aminomethyl)-4-fluoropiperidin-1-yl]phenol
PubChem CID115034562
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name4-[4-(aminomethyl)-4-fluoropiperidin-1-yl]phenol
SMILESNCC1(F)CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C12H17FN2O/c13-12(9-14)5-7-15(8-6-12)10-1-3-11(16)4-2-10/h1-4,16H,5-9,14H2
InChIKeyGIXUJROENIBLDY-UHFFFAOYSA-N
XLogP1.66
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(4-bromophenyl)-4-fluoropiperidin-4-yl]methanamine
CID 115052415
1-(4-hydroxyphenyl)-4-(trifluoromethyl)piperidin-4-ol
CID 70873616
[1-(aminomethyl)cyclopropyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
CID 115452712
1-(4-hydroxyphenyl)-4-methylpiperidin-4-ol
CID 115025215
4-(4,4-diethoxypiperidin-1-yl)phenol
CID 69481596
[4-(aminomethyl)oxan-4-yl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone;dihydrochloride
CID 120937664
9-(4-hydroxyphenyl)-3,9-diazaspiro[5.5]undecane-2,4-dione
CID 164939841
3-bromo-1-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one
CID 113385212
[1-(4-bromophenyl)-4-(fluoromethyl)piperidin-4-yl]methanamine
CID 115053451
(3-fluoro-1-phenylpiperidin-3-yl)methanamine
CID 115025936
4-(4-phosphanylpiperazin-1-yl)phenol
CID 129203911
4-[4-[4-[bis(phosphanyl)amino]phenyl]piperazin-1-yl]phenol
CID 18738299

Frequently Asked Questions

What is the IUPAC name of 4-[4-(aminomethyl)-4-fluoropiperidin-1-yl]phenol?
The IUPAC name of 4-[4-(aminomethyl)-4-fluoropiperidin-1-yl]phenol (CID 115034562) is 4-[4-(aminomethyl)-4-fluoropiperidin-1-yl]phenol.
What is the SMILES notation for 4-[4-(aminomethyl)-4-fluoropiperidin-1-yl]phenol?
The canonical SMILES for 4-[4-(aminomethyl)-4-fluoropiperidin-1-yl]phenol is NCC1(F)CCN(c2ccc(O)cc2)CC1.
What is the InChIKey of 4-[4-(aminomethyl)-4-fluoropiperidin-1-yl]phenol?
The InChIKey is GIXUJROENIBLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c13-12(9-14)5-7-15(8-6-12)10-1-3-11(16)4-2-10/h1-4,16H,5-9,14H2.
What are the key properties of 4-[4-(aminomethyl)-4-fluoropiperidin-1-yl]phenol?
4-[4-(aminomethyl)-4-fluoropiperidin-1-yl]phenol has a molecular weight of 224.28 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(aminomethyl)-4-fluoropiperidin-1-yl]phenol is sourced from PubChem (CID 115034562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).