4-(aminomethyl)-4-[(4-fluorophenyl)methyl]piperidine-1-carboxylic acid

C14H19FN2O2 — CID 91084745

IUPAC4-(aminomethyl)-4-[(4-fluorophenyl)methyl]piperidine-1-carboxylic acid
SMILESNCC1(Cc2ccc(F)cc2)CCN(C(=O)O)CC1
InChIInChI=1S/C14H19FN2O2/c15-12-3-1-11(2-4-12)9-14(10-16)5-7-17(8-6-14)13(18)19/h1-4H,5-10,16H2,(H,18,19)
InChIKeyZZUBVBWITGCWPP-UHFFFAOYSA-N
MW266.32 g/mol
LogP2.09
Rot. Bonds3

About 4-(aminomethyl)-4-[(4-fluorophenyl)methyl]piperidine-1-carboxylic acid

4-(aminomethyl)-4-[(4-fluorophenyl)methyl]piperidine-1-carboxylic acid (PubChem CID 91084745) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 4-(aminomethyl)-4-[(4-fluorophenyl)methyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(aminomethyl)-4-[(4-fluorophenyl)methyl]piperidine-1-carboxylic acid
PubChem CID91084745
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name4-(aminomethyl)-4-[(4-fluorophenyl)methyl]piperidine-1-carboxylic acid
SMILESNCC1(Cc2ccc(F)cc2)CCN(C(=O)O)CC1
InChIInChI=1S/C14H19FN2O2/c15-12-3-1-11(2-4-12)9-14(10-16)5-7-17(8-6-14)13(18)19/h1-4H,5-10,16H2,(H,18,19)
InChIKeyZZUBVBWITGCWPP-UHFFFAOYSA-N
XLogP2.09
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-4-[(4-fluorophenyl)methyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-(aminomethyl)-4-[(4-fluorophenyl)methyl]piperidine-1-carboxylic acid (CID 91084745) is 4-(aminomethyl)-4-[(4-fluorophenyl)methyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(aminomethyl)-4-[(4-fluorophenyl)methyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-(aminomethyl)-4-[(4-fluorophenyl)methyl]piperidine-1-carboxylic acid is NCC1(Cc2ccc(F)cc2)CCN(C(=O)O)CC1.
What is the InChIKey of 4-(aminomethyl)-4-[(4-fluorophenyl)methyl]piperidine-1-carboxylic acid?
The InChIKey is ZZUBVBWITGCWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c15-12-3-1-11(2-4-12)9-14(10-16)5-7-17(8-6-14)13(18)19/h1-4H,5-10,16H2,(H,18,19).
What are the key properties of 4-(aminomethyl)-4-[(4-fluorophenyl)methyl]piperidine-1-carboxylic acid?
4-(aminomethyl)-4-[(4-fluorophenyl)methyl]piperidine-1-carboxylic acid has a molecular weight of 266.32 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-4-[(4-fluorophenyl)methyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 91084745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).