(3S,4R)-3-fluoro-1-(3-methyloxetan-3-yl)piperidin-4-amine

C9H17FN2O — CID 178125144

IUPAC(3S,4R)-3-fluoro-1-(3-methyloxetan-3-yl)piperidin-4-amine
SMILESCC1(N2CC[C@@H](N)[C@@H](F)C2)COC1
InChIInChI=1S/C9H17FN2O/c1-9(5-13-6-9)12-3-2-8(11)7(10)4-12/h7-8H,2-6,11H2,1H3/t7-,8+/m0/s1
InChIKeyDNYSBSCAMINKHC-JGVFFNPUSA-N
MW188.25 g/mol
LogP0.15
Rot. Bonds1

About (3S,4R)-3-fluoro-1-(3-methyloxetan-3-yl)piperidin-4-amine

(3S,4R)-3-fluoro-1-(3-methyloxetan-3-yl)piperidin-4-amine (PubChem CID 178125144) has the molecular formula C9H17FN2O and a molecular weight of 188.25 g/mol. Its IUPAC name is (3S,4R)-3-fluoro-1-(3-methyloxetan-3-yl)piperidin-4-amine.

Molecular Properties

Compound Name(3S,4R)-3-fluoro-1-(3-methyloxetan-3-yl)piperidin-4-amine
PubChem CID178125144
Molecular FormulaC9H17FN2O
Molecular Weight188.25 g/mol
Exact Mass188.13
IUPAC Name(3S,4R)-3-fluoro-1-(3-methyloxetan-3-yl)piperidin-4-amine
SMILESCC1(N2CC[C@@H](N)[C@@H](F)C2)COC1
InChIInChI=1S/C9H17FN2O/c1-9(5-13-6-9)12-3-2-8(11)7(10)4-12/h7-8H,2-6,11H2,1H3/t7-,8+/m0/s1
InChIKeyDNYSBSCAMINKHC-JGVFFNPUSA-N
XLogP0.15
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-Methoxyethyl)-1-methylpiperidin-4-amine
CID 2761027
1-(2-Methoxyethyl)piperidin-4-amine
CID 20119121
1-(Oxetan-3-yl)piperidin-4-amine dihydrochloride
CID 71741918
1-ethyl-N-(2-methoxyethyl)piperidin-4-amine
CID 2247136
1-(Oxetan-3-YL)piperidin-4-amine
CID 55282855
1-ethyl-N-(1-methoxypropan-2-yl)piperidin-4-amine
CID 2846291
N-(1-methoxypropan-2-yl)-1-methylpiperidin-4-amine
CID 2849472
N-(2-methoxyethyl)-N-methylpiperidin-4-amine
CID 23391807
N-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 57494007
4-(3-Methoxyazetidin-1-yl)piperidine
CID 89606935
3-Fluoro-1-(2-methoxyethyl)piperidin-4-amine
CID 119054836
N-(oxetan-3-yl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 155407830

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-fluoro-1-(3-methyloxetan-3-yl)piperidin-4-amine?
The IUPAC name of (3S,4R)-3-fluoro-1-(3-methyloxetan-3-yl)piperidin-4-amine (CID 178125144) is (3S,4R)-3-fluoro-1-(3-methyloxetan-3-yl)piperidin-4-amine.
What is the SMILES notation for (3S,4R)-3-fluoro-1-(3-methyloxetan-3-yl)piperidin-4-amine?
The canonical SMILES for (3S,4R)-3-fluoro-1-(3-methyloxetan-3-yl)piperidin-4-amine is CC1(N2CC[C@@H](N)[C@@H](F)C2)COC1.
What is the InChIKey of (3S,4R)-3-fluoro-1-(3-methyloxetan-3-yl)piperidin-4-amine?
The InChIKey is DNYSBSCAMINKHC-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H17FN2O/c1-9(5-13-6-9)12-3-2-8(11)7(10)4-12/h7-8H,2-6,11H2,1H3/t7-,8+/m0/s1.
What are the key properties of (3S,4R)-3-fluoro-1-(3-methyloxetan-3-yl)piperidin-4-amine?
(3S,4R)-3-fluoro-1-(3-methyloxetan-3-yl)piperidin-4-amine has a molecular weight of 188.25 g/mol, XLogP of 0.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-fluoro-1-(3-methyloxetan-3-yl)piperidin-4-amine is sourced from PubChem (CID 178125144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).