4-fluoro-4-[[[2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]methyl]piperidine-1-carboxylic acid

C19H25FN2O2 — CID 122641249

IUPAC4-fluoro-4-[[[2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]methyl]piperidine-1-carboxylic acid
SMILESC/C(=C\c1ccccc1)C1CC1NCC1(F)CCN(C(=O)O)CC1
InChIInChI=1S/C19H25FN2O2/c1-14(11-15-5-3-2-4-6-15)16-12-17(16)21-13-19(20)7-9-22(10-8-19)18(23)24/h2-6,11,16-17,21H,7-10,12-13H2,1H3,(H,23,24)/b14-11+
InChIKeyCJCRXXOURYVXHT-SDNWHVSQSA-N
MW332.42 g/mol
LogP3.55
Rot. Bonds5

About 4-fluoro-4-[[[2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]methyl]piperidine-1-carboxylic acid

4-fluoro-4-[[[2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]methyl]piperidine-1-carboxylic acid (PubChem CID 122641249) has the molecular formula C19H25FN2O2 and a molecular weight of 332.42 g/mol. Its IUPAC name is 4-fluoro-4-[[[2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]methyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-fluoro-4-[[[2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]methyl]piperidine-1-carboxylic acid
PubChem CID122641249
Molecular FormulaC19H25FN2O2
Molecular Weight332.42 g/mol
Exact Mass332.19
IUPAC Name4-fluoro-4-[[[2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]methyl]piperidine-1-carboxylic acid
SMILESC/C(=C\c1ccccc1)C1CC1NCC1(F)CCN(C(=O)O)CC1
InChIInChI=1S/C19H25FN2O2/c1-14(11-15-5-3-2-4-6-15)16-12-17(16)21-13-19(20)7-9-22(10-8-19)18(23)24/h2-6,11,16-17,21H,7-10,12-13H2,1H3,(H,23,24)/b14-11+
InChIKeyCJCRXXOURYVXHT-SDNWHVSQSA-N
XLogP3.55
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-[[[2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]methyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-fluoro-4-[[[2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]methyl]piperidine-1-carboxylic acid (CID 122641249) is 4-fluoro-4-[[[2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]methyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-fluoro-4-[[[2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]methyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-fluoro-4-[[[2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]methyl]piperidine-1-carboxylic acid is C/C(=C\c1ccccc1)C1CC1NCC1(F)CCN(C(=O)O)CC1.
What is the InChIKey of 4-fluoro-4-[[[2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]methyl]piperidine-1-carboxylic acid?
The InChIKey is CJCRXXOURYVXHT-SDNWHVSQSA-N. The full InChI is InChI=1S/C19H25FN2O2/c1-14(11-15-5-3-2-4-6-15)16-12-17(16)21-13-19(20)7-9-22(10-8-19)18(23)24/h2-6,11,16-17,21H,7-10,12-13H2,1H3,(H,23,24)/b14-11+.
What are the key properties of 4-fluoro-4-[[[2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]methyl]piperidine-1-carboxylic acid?
4-fluoro-4-[[[2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]methyl]piperidine-1-carboxylic acid has a molecular weight of 332.42 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-[[[2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]methyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 122641249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).