1-[4-[(1R)-1-aminoethyl]-2-fluorophenyl]-3-methylpiperidin-3-ol

C14H21FN2O — CID 104876734

IUPAC1-[4-[(1R)-1-aminoethyl]-2-fluorophenyl]-3-methylpiperidin-3-ol
SMILESC[C@@H](N)c1ccc(N2CCCC(C)(O)C2)c(F)c1
InChIInChI=1S/C14H21FN2O/c1-10(16)11-4-5-13(12(15)8-11)17-7-3-6-14(2,18)9-17/h4-5,8,10,18H,3,6-7,9,16H2,1-2H3/t10-,14?/m1/s1
InChIKeyACPJTARGNUNYCJ-IAPIXIRKSA-N
MW252.33 g/mol
LogP2.20
Rot. Bonds2

About 1-[4-[(1R)-1-aminoethyl]-2-fluorophenyl]-3-methylpiperidin-3-ol

1-[4-[(1R)-1-aminoethyl]-2-fluorophenyl]-3-methylpiperidin-3-ol (PubChem CID 104876734) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 1-[4-[(1R)-1-aminoethyl]-2-fluorophenyl]-3-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-[4-[(1R)-1-aminoethyl]-2-fluorophenyl]-3-methylpiperidin-3-ol
PubChem CID104876734
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name1-[4-[(1R)-1-aminoethyl]-2-fluorophenyl]-3-methylpiperidin-3-ol
SMILESC[C@@H](N)c1ccc(N2CCCC(C)(O)C2)c(F)c1
InChIInChI=1S/C14H21FN2O/c1-10(16)11-4-5-13(12(15)8-11)17-7-3-6-14(2,18)9-17/h4-5,8,10,18H,3,6-7,9,16H2,1-2H3/t10-,14?/m1/s1
InChIKeyACPJTARGNUNYCJ-IAPIXIRKSA-N
XLogP2.20
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[4-(4,4-dimethylazepan-1-yl)-3-fluorophenyl]ethanamine
CID 79005160
1-[4-(azepan-1-yl)-3-fluorophenyl]ethanamine
CID 43188748
1-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethanamine;dihydrochloride
CID 112758006
(1R)-1-[3-fluoro-4-(3,3,4-trimethylpiperazin-1-yl)phenyl]ethanamine
CID 55216383
1-[4-[(1R)-1-aminoethyl]-2-pyridinyl]-3-methylpiperidin-3-ol
CID 104876717
1-[4-[(1S)-1-aminoethyl]-2-pyridinyl]-3-methylpiperidin-3-ol
CID 104876735
1-[4-[(1R)-1-aminoethyl]-2-fluorophenyl]piperidin-3-ol
CID 78934869
1-[5-[(1R)-1-aminoethyl]-2-pyridinyl]-3-methylpiperidin-3-ol
CID 104876737
1-[4-(1-aminoethyl)-2-fluorophenyl]piperidin-3-ol
CID 61434717
1-[2-fluoro-4-[1-(propylamino)ethyl]phenyl]-3-methylpyrrolidin-3-ol
CID 103356559
(1R)-1-[4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-3-fluorophenyl]ethanamine
CID 63369044
(1R)-1-(3-fluoro-4-thiomorpholin-4-ylphenyl)ethanamine
CID 28787551

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1R)-1-aminoethyl]-2-fluorophenyl]-3-methylpiperidin-3-ol?
The IUPAC name of 1-[4-[(1R)-1-aminoethyl]-2-fluorophenyl]-3-methylpiperidin-3-ol (CID 104876734) is 1-[4-[(1R)-1-aminoethyl]-2-fluorophenyl]-3-methylpiperidin-3-ol.
What is the SMILES notation for 1-[4-[(1R)-1-aminoethyl]-2-fluorophenyl]-3-methylpiperidin-3-ol?
The canonical SMILES for 1-[4-[(1R)-1-aminoethyl]-2-fluorophenyl]-3-methylpiperidin-3-ol is C[C@@H](N)c1ccc(N2CCCC(C)(O)C2)c(F)c1.
What is the InChIKey of 1-[4-[(1R)-1-aminoethyl]-2-fluorophenyl]-3-methylpiperidin-3-ol?
The InChIKey is ACPJTARGNUNYCJ-IAPIXIRKSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-10(16)11-4-5-13(12(15)8-11)17-7-3-6-14(2,18)9-17/h4-5,8,10,18H,3,6-7,9,16H2,1-2H3/t10-,14?/m1/s1.
What are the key properties of 1-[4-[(1R)-1-aminoethyl]-2-fluorophenyl]-3-methylpiperidin-3-ol?
1-[4-[(1R)-1-aminoethyl]-2-fluorophenyl]-3-methylpiperidin-3-ol has a molecular weight of 252.33 g/mol, XLogP of 2.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1R)-1-aminoethyl]-2-fluorophenyl]-3-methylpiperidin-3-ol is sourced from PubChem (CID 104876734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).