[4-(aminomethyl)-2-fluoropiperidin-1-yl]-phenylmethanone

C13H17FN2O — CID 142777776

IUPAC[4-(aminomethyl)-2-fluoropiperidin-1-yl]-phenylmethanone
SMILESNCC1CCN(C(=O)c2ccccc2)C(F)C1
InChIInChI=1S/C13H17FN2O/c14-12-8-10(9-15)6-7-16(12)13(17)11-4-2-1-3-5-11/h1-5,10,12H,6-9,15H2
InChIKeyUYPHGTBRBPPCCD-UHFFFAOYSA-N
MW236.29 g/mol
LogP1.79
Rot. Bonds2

About [4-(aminomethyl)-2-fluoropiperidin-1-yl]-phenylmethanone

[4-(aminomethyl)-2-fluoropiperidin-1-yl]-phenylmethanone (PubChem CID 142777776) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is [4-(aminomethyl)-2-fluoropiperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-(aminomethyl)-2-fluoropiperidin-1-yl]-phenylmethanone
PubChem CID142777776
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name[4-(aminomethyl)-2-fluoropiperidin-1-yl]-phenylmethanone
SMILESNCC1CCN(C(=O)c2ccccc2)C(F)C1
InChIInChI=1S/C13H17FN2O/c14-12-8-10(9-15)6-7-16(12)13(17)11-4-2-1-3-5-11/h1-5,10,12H,6-9,15H2
InChIKeyUYPHGTBRBPPCCD-UHFFFAOYSA-N
XLogP1.79
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)-2-fluoropiperidin-1-yl]-phenylmethanone?
The IUPAC name of [4-(aminomethyl)-2-fluoropiperidin-1-yl]-phenylmethanone (CID 142777776) is [4-(aminomethyl)-2-fluoropiperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-(aminomethyl)-2-fluoropiperidin-1-yl]-phenylmethanone?
The canonical SMILES for [4-(aminomethyl)-2-fluoropiperidin-1-yl]-phenylmethanone is NCC1CCN(C(=O)c2ccccc2)C(F)C1.
What is the InChIKey of [4-(aminomethyl)-2-fluoropiperidin-1-yl]-phenylmethanone?
The InChIKey is UYPHGTBRBPPCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c14-12-8-10(9-15)6-7-16(12)13(17)11-4-2-1-3-5-11/h1-5,10,12H,6-9,15H2.
What are the key properties of [4-(aminomethyl)-2-fluoropiperidin-1-yl]-phenylmethanone?
[4-(aminomethyl)-2-fluoropiperidin-1-yl]-phenylmethanone has a molecular weight of 236.29 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)-2-fluoropiperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 142777776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).