1-[5-[(cyclopropylamino)methyl]-2-fluorophenyl]piperidine-4-carboxylic acid

C16H21FN2O2 — CID 84753304

IUPAC1-[5-[(cyclopropylamino)methyl]-2-fluorophenyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2cc(CNC3CC3)ccc2F)CC1
InChIInChI=1S/C16H21FN2O2/c17-14-4-1-11(10-18-13-2-3-13)9-15(14)19-7-5-12(6-8-19)16(20)21/h1,4,9,12-13,18H,2-3,5-8,10H2,(H,20,21)
InChIKeyXRRQSCGXTYJDMI-UHFFFAOYSA-N
MW292.35 g/mol
LogP2.38
Rot. Bonds5

About 1-[5-[(cyclopropylamino)methyl]-2-fluorophenyl]piperidine-4-carboxylic acid

1-[5-[(cyclopropylamino)methyl]-2-fluorophenyl]piperidine-4-carboxylic acid (PubChem CID 84753304) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is 1-[5-[(cyclopropylamino)methyl]-2-fluorophenyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[5-[(cyclopropylamino)methyl]-2-fluorophenyl]piperidine-4-carboxylic acid
PubChem CID84753304
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC Name1-[5-[(cyclopropylamino)methyl]-2-fluorophenyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2cc(CNC3CC3)ccc2F)CC1
InChIInChI=1S/C16H21FN2O2/c17-14-4-1-11(10-18-13-2-3-13)9-15(14)19-7-5-12(6-8-19)16(20)21/h1,4,9,12-13,18H,2-3,5-8,10H2,(H,20,21)
InChIKeyXRRQSCGXTYJDMI-UHFFFAOYSA-N
XLogP2.38
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluoro-3-piperidin-1-ylphenyl)methyl]cyclopropanamine
CID 84753903
4-[(3-chloro-4-fluorophenyl)methylamino]cyclohexane-1-carboxylic acid
CID 81155541
N-[(4-fluoro-3-piperazin-1-ylphenyl)methyl]cyclopentanamine
CID 84753916
4-[(3-fluoro-4-imidazol-1-ylphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 120509822
3-[[4-fluoro-3-(4-methylpiperidin-1-yl)phenyl]methylamino]propanoic acid
CID 84753389
[4-[(cyclopropylamino)methyl]-2-fluorophenyl]boronic acid
CID 56776658
cyclopropyl-[4-[(3,4-difluorophenyl)methylamino]piperidin-1-yl]methanone
CID 43434746
3-[[[1-(2-fluorophenyl)pyrrolidin-3-yl]amino]methyl]benzoic acid
CID 122034683
(3S)-1-(2,5-difluorophenyl)pyrrolidine-3-carboxylic acid
CID 155285048
4-[(4-cyclopropylphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 79977776
4-[(4-iodophenyl)methylamino]cyclohexane-1-carboxylic acid
CID 65478258
1-(4-chloro-2-fluorophenyl)piperidine-4-carboxylic acid
CID 156503762

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(cyclopropylamino)methyl]-2-fluorophenyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[5-[(cyclopropylamino)methyl]-2-fluorophenyl]piperidine-4-carboxylic acid (CID 84753304) is 1-[5-[(cyclopropylamino)methyl]-2-fluorophenyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[5-[(cyclopropylamino)methyl]-2-fluorophenyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[5-[(cyclopropylamino)methyl]-2-fluorophenyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(c2cc(CNC3CC3)ccc2F)CC1.
What is the InChIKey of 1-[5-[(cyclopropylamino)methyl]-2-fluorophenyl]piperidine-4-carboxylic acid?
The InChIKey is XRRQSCGXTYJDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2/c17-14-4-1-11(10-18-13-2-3-13)9-15(14)19-7-5-12(6-8-19)16(20)21/h1,4,9,12-13,18H,2-3,5-8,10H2,(H,20,21).
What are the key properties of 1-[5-[(cyclopropylamino)methyl]-2-fluorophenyl]piperidine-4-carboxylic acid?
1-[5-[(cyclopropylamino)methyl]-2-fluorophenyl]piperidine-4-carboxylic acid has a molecular weight of 292.35 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(cyclopropylamino)methyl]-2-fluorophenyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 84753304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).