1-[(2-amino-6-fluorophenyl)methyl]piperidin-3-ol

C12H17FN2O — CID 63331097

IUPAC1-[(2-amino-6-fluorophenyl)methyl]piperidin-3-ol
SMILESNc1cccc(F)c1CN1CCCC(O)C1
InChIInChI=1S/C12H17FN2O/c13-11-4-1-5-12(14)10(11)8-15-6-2-3-9(16)7-15/h1,4-5,9,16H,2-3,6-8,14H2
InChIKeyFHFMYWQHDCAQSB-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.36
Rot. Bonds2

About 1-[(2-amino-6-fluorophenyl)methyl]piperidin-3-ol

1-[(2-amino-6-fluorophenyl)methyl]piperidin-3-ol (PubChem CID 63331097) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is 1-[(2-amino-6-fluorophenyl)methyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[(2-amino-6-fluorophenyl)methyl]piperidin-3-ol
PubChem CID63331097
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name1-[(2-amino-6-fluorophenyl)methyl]piperidin-3-ol
SMILESNc1cccc(F)c1CN1CCCC(O)C1
InChIInChI=1S/C12H17FN2O/c13-11-4-1-5-12(14)10(11)8-15-6-2-3-9(16)7-15/h1,4-5,9,16H,2-3,6-8,14H2
InChIKeyFHFMYWQHDCAQSB-UHFFFAOYSA-N
XLogP1.36
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 ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[(2-chloro-6-fluorophenyl)methyl]piperidin-3-ol
CID 24905047
3-fluoro-2-[(3-phenylpyrrolidin-1-yl)methyl]aniline
CID 63330761
1-[(3-bromo-2,6-difluorophenyl)methyl]piperidin-3-ol
CID 106268702
[(3S)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]methanol
CID 129380640
1-[(2-chloro-6-hydroxyphenyl)methyl]piperidin-3-ol
CID 115879745
(3S)-1-[(2-fluoro-3-methylphenyl)methyl]piperidin-3-ol
CID 24904595
2-[(2-ethylmorpholin-4-yl)methyl]-3-fluoroaniline
CID 63330879
ethyl 4-fluoro-3-[(3-hydroxypiperidin-1-yl)methyl]-1-benzothiophene-2-carboxylate
CID 17396022
2-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]acetic acid
CID 65060111
3-fluoro-2-[[4-(methoxymethyl)piperidin-1-yl]methyl]aniline
CID 63971877
(3S)-1-[(3,5-difluorophenyl)methyl]piperidin-3-ol
CID 107225646
2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-3-fluoroaniline
CID 63330937

Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-6-fluorophenyl)methyl]piperidin-3-ol?
The IUPAC name of 1-[(2-amino-6-fluorophenyl)methyl]piperidin-3-ol (CID 63331097) is 1-[(2-amino-6-fluorophenyl)methyl]piperidin-3-ol.
What is the SMILES notation for 1-[(2-amino-6-fluorophenyl)methyl]piperidin-3-ol?
The canonical SMILES for 1-[(2-amino-6-fluorophenyl)methyl]piperidin-3-ol is Nc1cccc(F)c1CN1CCCC(O)C1.
What is the InChIKey of 1-[(2-amino-6-fluorophenyl)methyl]piperidin-3-ol?
The InChIKey is FHFMYWQHDCAQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c13-11-4-1-5-12(14)10(11)8-15-6-2-3-9(16)7-15/h1,4-5,9,16H,2-3,6-8,14H2.
What are the key properties of 1-[(2-amino-6-fluorophenyl)methyl]piperidin-3-ol?
1-[(2-amino-6-fluorophenyl)methyl]piperidin-3-ol has a molecular weight of 224.28 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-6-fluorophenyl)methyl]piperidin-3-ol is sourced from PubChem (CID 63331097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).