(3R,4S)-3-fluoropiperidin-4-amine;hydrochloride

C5H12ClFN2 — CID 170923054

IUPAC(3R,4S)-3-fluoropiperidin-4-amine;hydrochloride
SMILESCl.N[C@H]1CCNC[C@H]1F
InChIInChI=1S/C5H11FN2.ClH/c6-4-3-8-2-1-5(4)7;/h4-5,8H,1-3,7H2;1H/t4-,5+;/m1./s1
InChIKeyKTJVVPSRASXPKE-JBUOLDKXSA-N
MW154.62 g/mol
LogP0.07
Rot. Bonds

About (3R,4S)-3-fluoropiperidin-4-amine;hydrochloride

(3R,4S)-3-fluoropiperidin-4-amine;hydrochloride (PubChem CID 170923054) has the molecular formula C5H12ClFN2 and a molecular weight of 154.62 g/mol. Its IUPAC name is (3R,4S)-3-fluoropiperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name(3R,4S)-3-fluoropiperidin-4-amine;hydrochloride
PubChem CID170923054
Molecular FormulaC5H12ClFN2
Molecular Weight154.62 g/mol
Exact Mass154.07
IUPAC Name(3R,4S)-3-fluoropiperidin-4-amine;hydrochloride
SMILESCl.N[C@H]1CCNC[C@H]1F
InChIInChI=1S/C5H11FN2.ClH/c6-4-3-8-2-1-5(4)7;/h4-5,8H,1-3,7H2;1H/t4-,5+;/m1./s1
InChIKeyKTJVVPSRASXPKE-JBUOLDKXSA-N
XLogP0.07
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.62
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3R,4S)-3-fluoropiperidin-4-amine;hydrochloride 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 (3R,4S)-3-fluoropiperidin-4-amine;hydrochloride?
The IUPAC name of (3R,4S)-3-fluoropiperidin-4-amine;hydrochloride (CID 170923054) is (3R,4S)-3-fluoropiperidin-4-amine;hydrochloride.
What is the SMILES notation for (3R,4S)-3-fluoropiperidin-4-amine;hydrochloride?
The canonical SMILES for (3R,4S)-3-fluoropiperidin-4-amine;hydrochloride is Cl.N[C@H]1CCNC[C@H]1F.
What is the InChIKey of (3R,4S)-3-fluoropiperidin-4-amine;hydrochloride?
The InChIKey is KTJVVPSRASXPKE-JBUOLDKXSA-N. The full InChI is InChI=1S/C5H11FN2.ClH/c6-4-3-8-2-1-5(4)7;/h4-5,8H,1-3,7H2;1H/t4-,5+;/m1./s1.
What are the key properties of (3R,4S)-3-fluoropiperidin-4-amine;hydrochloride?
(3R,4S)-3-fluoropiperidin-4-amine;hydrochloride has a molecular weight of 154.62 g/mol, XLogP of 0.07, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-fluoropiperidin-4-amine;hydrochloride is sourced from PubChem (CID 170923054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).