methyl 3-[4-fluoro-4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]propanoate

C19H27FN2O2 — CID 130453520

IUPACmethyl 3-[4-fluoro-4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]propanoate
SMILESCOC(=O)CCN1CCC(F)(CNC2CC2c2ccccc2)CC1
InChIInChI=1S/C19H27FN2O2/c1-24-18(23)7-10-22-11-8-19(20,9-12-22)14-21-17-13-16(17)15-5-3-2-4-6-15/h2-6,16-17,21H,7-14H2,1H3
InChIKeyODMJGVLIRMSRAA-UHFFFAOYSA-N
MW334.44 g/mol
LogP2.50
Rot. Bonds7

About methyl 3-[4-fluoro-4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]propanoate

methyl 3-[4-fluoro-4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]propanoate (PubChem CID 130453520) has the molecular formula C19H27FN2O2 and a molecular weight of 334.44 g/mol. Its IUPAC name is methyl 3-[4-fluoro-4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-fluoro-4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]propanoate
PubChem CID130453520
Molecular FormulaC19H27FN2O2
Molecular Weight334.44 g/mol
Exact Mass334.21
IUPAC Namemethyl 3-[4-fluoro-4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]propanoate
SMILESCOC(=O)CCN1CCC(F)(CNC2CC2c2ccccc2)CC1
InChIInChI=1S/C19H27FN2O2/c1-24-18(23)7-10-22-11-8-19(20,9-12-22)14-21-17-13-16(17)15-5-3-2-4-6-15/h2-6,16-17,21H,7-14H2,1H3
InChIKeyODMJGVLIRMSRAA-UHFFFAOYSA-N
XLogP2.50
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-fluoro-4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]propanoate?
The IUPAC name of methyl 3-[4-fluoro-4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]propanoate (CID 130453520) is methyl 3-[4-fluoro-4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]propanoate.
What is the SMILES notation for methyl 3-[4-fluoro-4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]propanoate?
The canonical SMILES for methyl 3-[4-fluoro-4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]propanoate is COC(=O)CCN1CCC(F)(CNC2CC2c2ccccc2)CC1.
What is the InChIKey of methyl 3-[4-fluoro-4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]propanoate?
The InChIKey is ODMJGVLIRMSRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O2/c1-24-18(23)7-10-22-11-8-19(20,9-12-22)14-21-17-13-16(17)15-5-3-2-4-6-15/h2-6,16-17,21H,7-14H2,1H3.
What are the key properties of methyl 3-[4-fluoro-4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]propanoate?
methyl 3-[4-fluoro-4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]propanoate has a molecular weight of 334.44 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-fluoro-4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]propanoate is sourced from PubChem (CID 130453520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).