2-[4-[(4-fluorophenyl)methyl]-4-[[(2-methylcyclopropyl)amino]methyl]piperidin-1-yl]acetic acid

C19H27FN2O2 — CID 123212048

IUPAC2-[4-[(4-fluorophenyl)methyl]-4-[[(2-methylcyclopropyl)amino]methyl]piperidin-1-yl]acetic acid
SMILESCC1CC1NCC1(Cc2ccc(F)cc2)CCN(CC(=O)O)CC1
InChIInChI=1S/C19H27FN2O2/c1-14-10-17(14)21-13-19(11-15-2-4-16(20)5-3-15)6-8-22(9-7-19)12-18(23)24/h2-5,14,17,21H,6-13H2,1H3,(H,23,24)
InChIKeyYGADAOSOJPWWLS-UHFFFAOYSA-N
MW334.44 g/mol
LogP2.53
Rot. Bonds7

About 2-[4-[(4-fluorophenyl)methyl]-4-[[(2-methylcyclopropyl)amino]methyl]piperidin-1-yl]acetic acid

2-[4-[(4-fluorophenyl)methyl]-4-[[(2-methylcyclopropyl)amino]methyl]piperidin-1-yl]acetic acid (PubChem CID 123212048) has the molecular formula C19H27FN2O2 and a molecular weight of 334.44 g/mol. Its IUPAC name is 2-[4-[(4-fluorophenyl)methyl]-4-[[(2-methylcyclopropyl)amino]methyl]piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(4-fluorophenyl)methyl]-4-[[(2-methylcyclopropyl)amino]methyl]piperidin-1-yl]acetic acid
PubChem CID123212048
Molecular FormulaC19H27FN2O2
Molecular Weight334.44 g/mol
Exact Mass334.21
IUPAC Name2-[4-[(4-fluorophenyl)methyl]-4-[[(2-methylcyclopropyl)amino]methyl]piperidin-1-yl]acetic acid
SMILESCC1CC1NCC1(Cc2ccc(F)cc2)CCN(CC(=O)O)CC1
InChIInChI=1S/C19H27FN2O2/c1-14-10-17(14)21-13-19(11-15-2-4-16(20)5-3-15)6-8-22(9-7-19)12-18(23)24/h2-5,14,17,21H,6-13H2,1H3,(H,23,24)
InChIKeyYGADAOSOJPWWLS-UHFFFAOYSA-N
XLogP2.53
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-fluorophenyl)methyl]-4-[[(2-methylcyclopropyl)amino]methyl]piperidin-1-yl]acetic acid?
The IUPAC name of 2-[4-[(4-fluorophenyl)methyl]-4-[[(2-methylcyclopropyl)amino]methyl]piperidin-1-yl]acetic acid (CID 123212048) is 2-[4-[(4-fluorophenyl)methyl]-4-[[(2-methylcyclopropyl)amino]methyl]piperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(4-fluorophenyl)methyl]-4-[[(2-methylcyclopropyl)amino]methyl]piperidin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(4-fluorophenyl)methyl]-4-[[(2-methylcyclopropyl)amino]methyl]piperidin-1-yl]acetic acid is CC1CC1NCC1(Cc2ccc(F)cc2)CCN(CC(=O)O)CC1.
What is the InChIKey of 2-[4-[(4-fluorophenyl)methyl]-4-[[(2-methylcyclopropyl)amino]methyl]piperidin-1-yl]acetic acid?
The InChIKey is YGADAOSOJPWWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O2/c1-14-10-17(14)21-13-19(11-15-2-4-16(20)5-3-15)6-8-22(9-7-19)12-18(23)24/h2-5,14,17,21H,6-13H2,1H3,(H,23,24).
What are the key properties of 2-[4-[(4-fluorophenyl)methyl]-4-[[(2-methylcyclopropyl)amino]methyl]piperidin-1-yl]acetic acid?
2-[4-[(4-fluorophenyl)methyl]-4-[[(2-methylcyclopropyl)amino]methyl]piperidin-1-yl]acetic acid has a molecular weight of 334.44 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-fluorophenyl)methyl]-4-[[(2-methylcyclopropyl)amino]methyl]piperidin-1-yl]acetic acid is sourced from PubChem (CID 123212048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).