2-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-2-(methylamino)acetic acid

C15H21FN2O2 — CID 83982815

IUPAC2-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-2-(methylamino)acetic acid
SMILESCNC(C(=O)O)C1CCCN(Cc2ccc(F)cc2)C1
InChIInChI=1S/C15H21FN2O2/c1-17-14(15(19)20)12-3-2-8-18(10-12)9-11-4-6-13(16)7-5-11/h4-7,12,14,17H,2-3,8-10H2,1H3,(H,19,20)
InChIKeyNKUOCOGWPGZWNT-UHFFFAOYSA-N
MW280.34 g/mol
LogP1.71
Rot. Bonds5

About 2-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-2-(methylamino)acetic acid

2-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-2-(methylamino)acetic acid (PubChem CID 83982815) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is 2-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-2-(methylamino)acetic acid.

Molecular Properties

Compound Name2-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-2-(methylamino)acetic acid
PubChem CID83982815
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name2-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-2-(methylamino)acetic acid
SMILESCNC(C(=O)O)C1CCCN(Cc2ccc(F)cc2)C1
InChIInChI=1S/C15H21FN2O2/c1-17-14(15(19)20)12-3-2-8-18(10-12)9-11-4-6-13(16)7-5-11/h4-7,12,14,17H,2-3,8-10H2,1H3,(H,19,20)
InChIKeyNKUOCOGWPGZWNT-UHFFFAOYSA-N
XLogP1.71
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(methylamino)-2-[1-[(4-methylphenyl)methyl]piperidin-3-yl]acetic acid
CID 83982729
2-(1-benzylpiperidin-3-yl)-2-fluoroacetic acid
CID 81358703
(3S)-1-[(4-bromophenyl)methyl]-3-[(1R)-1-chloroethyl]piperidine;oxalic acid
CID 54608918
1-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-N-methylpropan-2-amine
CID 83982807
(3R)-1-[(4-fluorophenyl)methyl]-3-methylpiperidine
CID 51531587
(3S)-N-benzhydryl-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 38102948
1-[(4-fluorophenyl)methyl]-N-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
CID 53289357
(3R)-N-[(1R)-1-(4-fluorophenyl)ethyl]-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 94024257
2-(methylamino)-2-(1-methylpiperidin-3-yl)acetic acid
CID 83483250
N-[1-(1-benzylpiperidin-3-yl)ethyl]acetamide
CID 21041194
methyl 2-amino-2-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]acetate
CID 83982541
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzamide
CID 99946484

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-2-(methylamino)acetic acid?
The IUPAC name of 2-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-2-(methylamino)acetic acid (CID 83982815) is 2-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-2-(methylamino)acetic acid.
What is the SMILES notation for 2-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-2-(methylamino)acetic acid?
The canonical SMILES for 2-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-2-(methylamino)acetic acid is CNC(C(=O)O)C1CCCN(Cc2ccc(F)cc2)C1.
What is the InChIKey of 2-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-2-(methylamino)acetic acid?
The InChIKey is NKUOCOGWPGZWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-17-14(15(19)20)12-3-2-8-18(10-12)9-11-4-6-13(16)7-5-11/h4-7,12,14,17H,2-3,8-10H2,1H3,(H,19,20).
What are the key properties of 2-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-2-(methylamino)acetic acid?
2-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-2-(methylamino)acetic acid has a molecular weight of 280.34 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-2-(methylamino)acetic acid is sourced from PubChem (CID 83982815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).