2-[4-(aminomethyl)-4-fluoropiperidin-1-yl]cyclopropan-1-amine

C9H18FN3 — CID 129060651

IUPAC2-[4-(aminomethyl)-4-fluoropiperidin-1-yl]cyclopropan-1-amine
SMILESNCC1(F)CCN(C2CC2N)CC1
InChIInChI=1S/C9H18FN3/c10-9(6-11)1-3-13(4-2-9)8-5-7(8)12/h7-8H,1-6,11-12H2
InChIKeyKPOREAMOMHBYGR-UHFFFAOYSA-N
MW187.26 g/mol
LogP-0.15
Rot. Bonds2

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

2-[4-(aminomethyl)-4-fluoropiperidin-1-yl]cyclopropan-1-amine (PubChem CID 129060651) has the molecular formula C9H18FN3 and a molecular weight of 187.26 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-4-fluoropiperidin-1-yl]cyclopropan-1-amine.

Molecular Properties

Compound Name2-[4-(aminomethyl)-4-fluoropiperidin-1-yl]cyclopropan-1-amine
PubChem CID129060651
Molecular FormulaC9H18FN3
Molecular Weight187.26 g/mol
Exact Mass187.15
IUPAC Name2-[4-(aminomethyl)-4-fluoropiperidin-1-yl]cyclopropan-1-amine
SMILESNCC1(F)CCN(C2CC2N)CC1
InChIInChI=1S/C9H18FN3/c10-9(6-11)1-3-13(4-2-9)8-5-7(8)12/h7-8H,1-6,11-12H2
InChIKeyKPOREAMOMHBYGR-UHFFFAOYSA-N
XLogP-0.15
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[4-(aminomethyl)-4-fluoropiperidin-1-yl]cyclopropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-4-fluoropiperidin-1-yl]cyclopropan-1-amine?
The IUPAC name of 2-[4-(aminomethyl)-4-fluoropiperidin-1-yl]cyclopropan-1-amine (CID 129060651) is 2-[4-(aminomethyl)-4-fluoropiperidin-1-yl]cyclopropan-1-amine.
What is the SMILES notation for 2-[4-(aminomethyl)-4-fluoropiperidin-1-yl]cyclopropan-1-amine?
The canonical SMILES for 2-[4-(aminomethyl)-4-fluoropiperidin-1-yl]cyclopropan-1-amine is NCC1(F)CCN(C2CC2N)CC1.
What is the InChIKey of 2-[4-(aminomethyl)-4-fluoropiperidin-1-yl]cyclopropan-1-amine?
The InChIKey is KPOREAMOMHBYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FN3/c10-9(6-11)1-3-13(4-2-9)8-5-7(8)12/h7-8H,1-6,11-12H2.
What are the key properties of 2-[4-(aminomethyl)-4-fluoropiperidin-1-yl]cyclopropan-1-amine?
2-[4-(aminomethyl)-4-fluoropiperidin-1-yl]cyclopropan-1-amine has a molecular weight of 187.26 g/mol, XLogP of -0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-4-fluoropiperidin-1-yl]cyclopropan-1-amine is sourced from PubChem (CID 129060651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).