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

C6H13ClFNO — CID 90176861

IUPAC(3S,4R)-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-RIHPBJNCSA-N
MW169.63 g/mol
LogP0.75
Rot. Bonds1

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

(3S,4R)-3-fluoro-4-methoxypiperidine;hydrochloride (PubChem CID 90176861) has the molecular formula C6H13ClFNO and a molecular weight of 169.63 g/mol. Its IUPAC name is (3S,4R)-3-fluoro-4-methoxypiperidine;hydrochloride.

Molecular Properties

Compound Name(3S,4R)-3-fluoro-4-methoxypiperidine;hydrochloride
PubChem CID90176861
Molecular FormulaC6H13ClFNO
Molecular Weight169.63 g/mol
Exact Mass169.07
IUPAC Name(3S,4R)-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-RIHPBJNCSA-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

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Related Compounds

4-Methoxypiperidine
CID 77666
4-Ethoxypiperidine
CID 11506519
4-Propoxypiperidine
CID 11492037
4-(Propan-2-yloxy)piperidine
CID 21501982
4-(Difluoromethoxy)piperidine
CID 57791849
4-(3,3,3-Trifluoropropoxy)piperidine
CID 64567759
4-propoxypiperidine Hydrochloride
CID 11492036
4-ethoxypiperidine Hydrochloride
CID 11506518
4-Methoxypiperidine hydrochloride
CID 11542813
4-(2,2,2-Trifluoroethoxy)piperidine
CID 24689679
4-(2-Fluoroethoxy)piperidine
CID 55280236
4-(2,2-Difluoroethoxy)piperidine
CID 60921781

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-fluoro-4-methoxypiperidine;hydrochloride?
The IUPAC name of (3S,4R)-3-fluoro-4-methoxypiperidine;hydrochloride (CID 90176861) is (3S,4R)-3-fluoro-4-methoxypiperidine;hydrochloride.
What is the SMILES notation for (3S,4R)-3-fluoro-4-methoxypiperidine;hydrochloride?
The canonical SMILES for (3S,4R)-3-fluoro-4-methoxypiperidine;hydrochloride is CO[C@@H]1CCNC[C@@H]1F.Cl.
What is the InChIKey of (3S,4R)-3-fluoro-4-methoxypiperidine;hydrochloride?
The InChIKey is RXBHOPYLIYPIMX-RIHPBJNCSA-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,4R)-3-fluoro-4-methoxypiperidine;hydrochloride?
(3S,4R)-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,4R)-3-fluoro-4-methoxypiperidine;hydrochloride is sourced from PubChem (CID 90176861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).