(3S,4R)-3-fluoro-1-methyl-N-propan-2-ylpiperidin-4-amine

C9H19FN2 — CID 171638746

IUPAC(3S,4R)-3-fluoro-1-methyl-N-propan-2-ylpiperidin-4-amine
SMILESCC(C)N[C@@H]1CCN(C)C[C@@H]1F
InChIInChI=1S/C9H19FN2/c1-7(2)11-9-4-5-12(3)6-8(9)10/h7-9,11H,4-6H2,1-3H3/t8-,9+/m0/s1
InChIKeyZMPNRCXJZXQMCS-DTWKUNHWSA-N
MW174.26 g/mol
LogP1.03
Rot. Bonds2

About (3S,4R)-3-fluoro-1-methyl-N-propan-2-ylpiperidin-4-amine

(3S,4R)-3-fluoro-1-methyl-N-propan-2-ylpiperidin-4-amine (PubChem CID 171638746) has the molecular formula C9H19FN2 and a molecular weight of 174.26 g/mol. Its IUPAC name is (3S,4R)-3-fluoro-1-methyl-N-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound Name(3S,4R)-3-fluoro-1-methyl-N-propan-2-ylpiperidin-4-amine
PubChem CID171638746
Molecular FormulaC9H19FN2
Molecular Weight174.26 g/mol
Exact Mass174.15
IUPAC Name(3S,4R)-3-fluoro-1-methyl-N-propan-2-ylpiperidin-4-amine
SMILESCC(C)N[C@@H]1CCN(C)C[C@@H]1F
InChIInChI=1S/C9H19FN2/c1-7(2)11-9-4-5-12(3)6-8(9)10/h7-9,11H,4-6H2,1-3H3/t8-,9+/m0/s1
InChIKeyZMPNRCXJZXQMCS-DTWKUNHWSA-N
XLogP1.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.26
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-difluoro-N-propan-2-ylpiperidin-4-amine
CID 174849475
(3S,4R)-3-fluoro-N,1-dimethylpiperidin-4-amine
CID 55287556
(3R,4S)-1-ethyl-3-fluoro-N-propan-2-ylpiperidin-4-amine
CID 172535668
trans-(1S,2S)-2-fluoro-N-propan-2-ylcyclohexan-1-amine
CID 165095676
trans-(1R,2R)-2-fluoro-N-propan-2-ylcyclopentan-1-amine
CID 126847843
(3S,4S)-3-fluoro-1-methyl-4-propan-2-ylpiperidine
CID 137457619
N-butan-2-yl-3-fluoro-1-methylpiperidin-4-amine;N-ethyl-1-propan-2-ylpiperidin-4-amine;molecular hydrogen
CID 178010855
ethane;3-fluoro-1-methyl-4-propan-2-ylpiperidine
CID 177155848
3-tert-butyl-1-methyl-N-propan-2-ylazepan-4-amine;ethane
CID 142347819
(3S)-3-fluoro-4-iodo-1-methylpiperidine
CID 167016263
ethane;1-methyl-N-propan-2-ylpiperidin-4-amine;1-methyl-N-propan-2-ylpyrrolidin-3-amine;molecular hydrogen
CID 142350050
N-(3-fluoro-1-methylpiperidin-4-yl)-5-propan-2-ylpyridin-3-amine;molecular hydrogen
CID 142305923

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-fluoro-1-methyl-N-propan-2-ylpiperidin-4-amine?
The IUPAC name of (3S,4R)-3-fluoro-1-methyl-N-propan-2-ylpiperidin-4-amine (CID 171638746) is (3S,4R)-3-fluoro-1-methyl-N-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for (3S,4R)-3-fluoro-1-methyl-N-propan-2-ylpiperidin-4-amine?
The canonical SMILES for (3S,4R)-3-fluoro-1-methyl-N-propan-2-ylpiperidin-4-amine is CC(C)N[C@@H]1CCN(C)C[C@@H]1F.
What is the InChIKey of (3S,4R)-3-fluoro-1-methyl-N-propan-2-ylpiperidin-4-amine?
The InChIKey is ZMPNRCXJZXQMCS-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H19FN2/c1-7(2)11-9-4-5-12(3)6-8(9)10/h7-9,11H,4-6H2,1-3H3/t8-,9+/m0/s1.
What are the key properties of (3S,4R)-3-fluoro-1-methyl-N-propan-2-ylpiperidin-4-amine?
(3S,4R)-3-fluoro-1-methyl-N-propan-2-ylpiperidin-4-amine has a molecular weight of 174.26 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-fluoro-1-methyl-N-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 171638746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).