(3S,4S)-3-fluoro-4-methoxypiperidine;hydrochloride

C6H13ClFNO — CID 135395865

IUPAC(3S,4S)-3-fluoro-4-methoxypiperidine;hydrochloride
SMILESCO[C@H]1CCNC[C@@H]1F.Cl
InChIInChI=1S/C6H12FNO.ClH/c1-9-6-2-3-8-4-5(6)7;/h5-6,8H,2-4H2,1H3;1H/t5-,6-;/m0./s1
InChIKeyRXBHOPYLIYPIMX-GEMLJDPKSA-N
MW169.63 g/mol
LogP0.75
Rot. Bonds1

About (3S,4S)-3-fluoro-4-methoxypiperidine;hydrochloride

(3S,4S)-3-fluoro-4-methoxypiperidine;hydrochloride (PubChem CID 135395865) has the molecular formula C6H13ClFNO and a molecular weight of 169.63 g/mol. Its IUPAC name is (3S,4S)-3-fluoro-4-methoxypiperidine;hydrochloride.

Molecular Properties

Compound Name(3S,4S)-3-fluoro-4-methoxypiperidine;hydrochloride
PubChem CID135395865
Molecular FormulaC6H13ClFNO
Molecular Weight169.63 g/mol
Exact Mass169.07
IUPAC Name(3S,4S)-3-fluoro-4-methoxypiperidine;hydrochloride
SMILESCO[C@H]1CCNC[C@@H]1F.Cl
InChIInChI=1S/C6H12FNO.ClH/c1-9-6-2-3-8-4-5(6)7;/h5-6,8H,2-4H2,1H3;1H/t5-,6-;/m0./s1
InChIKeyRXBHOPYLIYPIMX-GEMLJDPKSA-N
XLogP0.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.63
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3S,4S)-3-fluoro-4-methoxypiperidine;hydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

(3R)-3-fluoro-4-methoxypiperidine
CID 175540889
(3R,4S)-3-fluoro-4-methoxypyrrolidine;hydrochloride
CID 154810015
3-fluoro-4-methoxypyrrolidine
CID 22603647
[(3S,4R)-3-fluoropiperidin-4-yl] carbamate
CID 175145817
3-tert-butyl-4-methoxypiperidine
CID 117236477
1-fluoro-2-methoxycyclobutane
CID 166727939
methyl 3-fluoropiperidine-4-carboxylate;hydrochloride
CID 84720949
(3-fluoropiperidin-4-yl) butanoate
CID 174445737
(3R,4S)-3-fluoropiperidin-4-amine;hydrochloride
CID 170923054
methyl (3S,4R)-3-fluoropiperidine-4-carboxylate
CID 97289441
methyl 3-fluoropiperidine-4-carboxylate
CID 72698267
cis-(1S,2R)-1-fluoro-2-methoxycyclohexane
CID 12700790

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-fluoro-4-methoxypiperidine;hydrochloride?
The IUPAC name of (3S,4S)-3-fluoro-4-methoxypiperidine;hydrochloride (CID 135395865) is (3S,4S)-3-fluoro-4-methoxypiperidine;hydrochloride.
What is the SMILES notation for (3S,4S)-3-fluoro-4-methoxypiperidine;hydrochloride?
The canonical SMILES for (3S,4S)-3-fluoro-4-methoxypiperidine;hydrochloride is CO[C@H]1CCNC[C@@H]1F.Cl.
What is the InChIKey of (3S,4S)-3-fluoro-4-methoxypiperidine;hydrochloride?
The InChIKey is RXBHOPYLIYPIMX-GEMLJDPKSA-N. The full InChI is InChI=1S/C6H12FNO.ClH/c1-9-6-2-3-8-4-5(6)7;/h5-6,8H,2-4H2,1H3;1H/t5-,6-;/m0./s1.
What are the key properties of (3S,4S)-3-fluoro-4-methoxypiperidine;hydrochloride?
(3S,4S)-3-fluoro-4-methoxypiperidine;hydrochloride has a molecular weight of 169.63 g/mol, XLogP of 0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-fluoro-4-methoxypiperidine;hydrochloride is sourced from PubChem (CID 135395865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).