[1-[4-[(1S)-1-aminoethyl]-2-fluorophenyl]piperidin-4-yl]methanol

C14H21FN2O — CID 78936152

IUPAC[1-[4-[(1S)-1-aminoethyl]-2-fluorophenyl]piperidin-4-yl]methanol
SMILESC[C@H](N)c1ccc(N2CCC(CO)CC2)c(F)c1
InChIInChI=1S/C14H21FN2O/c1-10(16)12-2-3-14(13(15)8-12)17-6-4-11(9-18)5-7-17/h2-3,8,10-11,18H,4-7,9,16H2,1H3/t10-/m0/s1
InChIKeyFFHCQKNCCLCPJT-JTQLQIEISA-N
MW252.33 g/mol
LogP2.05
Rot. Bonds3

About [1-[4-[(1S)-1-aminoethyl]-2-fluorophenyl]piperidin-4-yl]methanol

[1-[4-[(1S)-1-aminoethyl]-2-fluorophenyl]piperidin-4-yl]methanol (PubChem CID 78936152) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is [1-[4-[(1S)-1-aminoethyl]-2-fluorophenyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[4-[(1S)-1-aminoethyl]-2-fluorophenyl]piperidin-4-yl]methanol
PubChem CID78936152
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name[1-[4-[(1S)-1-aminoethyl]-2-fluorophenyl]piperidin-4-yl]methanol
SMILESC[C@H](N)c1ccc(N2CCC(CO)CC2)c(F)c1
InChIInChI=1S/C14H21FN2O/c1-10(16)12-2-3-14(13(15)8-12)17-6-4-11(9-18)5-7-17/h2-3,8,10-11,18H,4-7,9,16H2,1H3/t10-/m0/s1
InChIKeyFFHCQKNCCLCPJT-JTQLQIEISA-N
XLogP2.05
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[3-fluoro-4-(4-propylpiperidin-1-yl)phenyl]ethanamine
CID 55190679
[1-[4-(1-aminoethyl)-2-chlorophenyl]piperidin-4-yl]methanol
CID 55132072
2-[1-[4-[(1R)-1-aminoethyl]-2-fluorophenyl]piperidin-4-yl]oxyethanol
CID 82691104
1-[4-(1-aminoethyl)-2-fluorophenyl]piperidine-4-carboxamide
CID 43188807
1-[4-(azepan-1-yl)-3-fluorophenyl]ethanamine
CID 43188748
[1-(4-amino-2-fluorophenyl)piperidin-4-yl]methanol
CID 43133145
1-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethanamine;dihydrochloride
CID 112758006
[1-[4-(1-aminoethyl)-2-chlorophenyl]pyrrolidin-3-yl]methanol
CID 112625974
[1-[4-[(1S)-1-aminoethyl]-2-fluorophenyl]pyrrolidin-2-yl]methanol
CID 78934575
(1R)-1-(3-fluoro-4-thiomorpholin-4-ylphenyl)ethanamine
CID 28787551
[1-(2-fluoro-4-iodophenyl)piperidin-4-yl]methanol
CID 155172642
[1-[2-fluoro-4-(hydroxymethyl)phenyl]piperidin-4-yl]methanol
CID 43133225

Frequently Asked Questions

What is the IUPAC name of [1-[4-[(1S)-1-aminoethyl]-2-fluorophenyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[4-[(1S)-1-aminoethyl]-2-fluorophenyl]piperidin-4-yl]methanol (CID 78936152) is [1-[4-[(1S)-1-aminoethyl]-2-fluorophenyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[4-[(1S)-1-aminoethyl]-2-fluorophenyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[4-[(1S)-1-aminoethyl]-2-fluorophenyl]piperidin-4-yl]methanol is C[C@H](N)c1ccc(N2CCC(CO)CC2)c(F)c1.
What is the InChIKey of [1-[4-[(1S)-1-aminoethyl]-2-fluorophenyl]piperidin-4-yl]methanol?
The InChIKey is FFHCQKNCCLCPJT-JTQLQIEISA-N. The full InChI is InChI=1S/C14H21FN2O/c1-10(16)12-2-3-14(13(15)8-12)17-6-4-11(9-18)5-7-17/h2-3,8,10-11,18H,4-7,9,16H2,1H3/t10-/m0/s1.
What are the key properties of [1-[4-[(1S)-1-aminoethyl]-2-fluorophenyl]piperidin-4-yl]methanol?
[1-[4-[(1S)-1-aminoethyl]-2-fluorophenyl]piperidin-4-yl]methanol has a molecular weight of 252.33 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-[(1S)-1-aminoethyl]-2-fluorophenyl]piperidin-4-yl]methanol is sourced from PubChem (CID 78936152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).