[1-[2-(1-aminoethyl)-4-fluorophenyl]piperidin-4-yl]methyl carbamate

C15H22FN3O2 — CID 175174279

IUPAC[1-[2-(1-aminoethyl)-4-fluorophenyl]piperidin-4-yl]methyl carbamate
SMILESCC(N)c1cc(F)ccc1N1CCC(COC(N)=O)CC1
InChIInChI=1S/C15H22FN3O2/c1-10(17)13-8-12(16)2-3-14(13)19-6-4-11(5-7-19)9-21-15(18)20/h2-3,8,10-11H,4-7,9,17H2,1H3,(H2,18,20)
InChIKeyBBWTYEYQDBIEGB-UHFFFAOYSA-N
MW295.36 g/mol
LogP2.16
Rot. Bonds4

About [1-[2-(1-aminoethyl)-4-fluorophenyl]piperidin-4-yl]methyl carbamate

[1-[2-(1-aminoethyl)-4-fluorophenyl]piperidin-4-yl]methyl carbamate (PubChem CID 175174279) has the molecular formula C15H22FN3O2 and a molecular weight of 295.36 g/mol. Its IUPAC name is [1-[2-(1-aminoethyl)-4-fluorophenyl]piperidin-4-yl]methyl carbamate.

Molecular Properties

Compound Name[1-[2-(1-aminoethyl)-4-fluorophenyl]piperidin-4-yl]methyl carbamate
PubChem CID175174279
Molecular FormulaC15H22FN3O2
Molecular Weight295.36 g/mol
Exact Mass295.17
IUPAC Name[1-[2-(1-aminoethyl)-4-fluorophenyl]piperidin-4-yl]methyl carbamate
SMILESCC(N)c1cc(F)ccc1N1CCC(COC(N)=O)CC1
InChIInChI=1S/C15H22FN3O2/c1-10(17)13-8-12(16)2-3-14(13)19-6-4-11(5-7-19)9-21-15(18)20/h2-3,8,10-11H,4-7,9,17H2,1H3,(H2,18,20)
InChIKeyBBWTYEYQDBIEGB-UHFFFAOYSA-N
XLogP2.16
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[2-(1-aminoethyl)-4-fluorophenyl]piperidin-4-yl]methyl]acetamide
CID 102736458
[1-[2-[(1R)-1-aminoethyl]-4-fluorophenyl]azetidin-2-yl]methyl carbamate
CID 175168258
(1S)-1-[5-fluoro-2-(4-methoxypiperidin-1-yl)phenyl]ethanamine
CID 78935771
2-[1-[4-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]piperidin-4-yl]acetamide
CID 63372745
ethyl 4-[2-[(1S)-1-aminoethyl]-4-fluorophenyl]piperazine-1-carboxylate
CID 107877129
1-(5-fluoro-2-pyrrolidin-1-ylphenyl)ethanamine
CID 43188715
(1R)-1-[5-fluoro-2-[3-(methoxymethyl)piperidin-1-yl]phenyl]ethanamine
CID 106587289
1-[2-[(1S)-1-aminoethyl]-4-fluorophenyl]-4-methylpiperidin-3-ol
CID 102958910
1-[2-(1-aminoethyl)-4-fluorophenyl]pyrrolidine-3,4-diol
CID 106669964
2-[4-[2-(1-aminoethyl)-4-fluorophenyl]piperazin-1-yl]ethanol
CID 43592142
(1R)-1-[5-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)phenyl]ethanamine
CID 63368739
1-[2-(1-aminoethyl)-4-fluorophenyl]-N,N-dimethylpyrrolidin-3-amine
CID 63163789

Frequently Asked Questions

What is the IUPAC name of [1-[2-(1-aminoethyl)-4-fluorophenyl]piperidin-4-yl]methyl carbamate?
The IUPAC name of [1-[2-(1-aminoethyl)-4-fluorophenyl]piperidin-4-yl]methyl carbamate (CID 175174279) is [1-[2-(1-aminoethyl)-4-fluorophenyl]piperidin-4-yl]methyl carbamate.
What is the SMILES notation for [1-[2-(1-aminoethyl)-4-fluorophenyl]piperidin-4-yl]methyl carbamate?
The canonical SMILES for [1-[2-(1-aminoethyl)-4-fluorophenyl]piperidin-4-yl]methyl carbamate is CC(N)c1cc(F)ccc1N1CCC(COC(N)=O)CC1.
What is the InChIKey of [1-[2-(1-aminoethyl)-4-fluorophenyl]piperidin-4-yl]methyl carbamate?
The InChIKey is BBWTYEYQDBIEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O2/c1-10(17)13-8-12(16)2-3-14(13)19-6-4-11(5-7-19)9-21-15(18)20/h2-3,8,10-11H,4-7,9,17H2,1H3,(H2,18,20).
What are the key properties of [1-[2-(1-aminoethyl)-4-fluorophenyl]piperidin-4-yl]methyl carbamate?
[1-[2-(1-aminoethyl)-4-fluorophenyl]piperidin-4-yl]methyl carbamate has a molecular weight of 295.36 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(1-aminoethyl)-4-fluorophenyl]piperidin-4-yl]methyl carbamate is sourced from PubChem (CID 175174279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).