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

C10H21FN2 — CID 172535668

IUPAC(3R,4S)-1-ethyl-3-fluoro-N-propan-2-ylpiperidin-4-amine
SMILESCCN1CC[C@H](NC(C)C)[C@H](F)C1
InChIInChI=1S/C10H21FN2/c1-4-13-6-5-10(9(11)7-13)12-8(2)3/h8-10,12H,4-7H2,1-3H3/t9-,10+/m1/s1
InChIKeyFLRLKFJZWXOJSM-ZJUUUORDSA-N
MW188.29 g/mol
LogP1.42
Rot. Bonds3

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

(3R,4S)-1-ethyl-3-fluoro-N-propan-2-ylpiperidin-4-amine (PubChem CID 172535668) has the molecular formula C10H21FN2 and a molecular weight of 188.29 g/mol. Its IUPAC name is (3R,4S)-1-ethyl-3-fluoro-N-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound Name(3R,4S)-1-ethyl-3-fluoro-N-propan-2-ylpiperidin-4-amine
PubChem CID172535668
Molecular FormulaC10H21FN2
Molecular Weight188.29 g/mol
Exact Mass188.17
IUPAC Name(3R,4S)-1-ethyl-3-fluoro-N-propan-2-ylpiperidin-4-amine
SMILESCCN1CC[C@H](NC(C)C)[C@H](F)C1
InChIInChI=1S/C10H21FN2/c1-4-13-6-5-10(9(11)7-13)12-8(2)3/h8-10,12H,4-7H2,1-3H3/t9-,10+/m1/s1
InChIKeyFLRLKFJZWXOJSM-ZJUUUORDSA-N
XLogP1.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 51.42
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-1-methyl-N-propan-2-ylpiperidin-4-amine
CID 171638746
(3S,4R)-1-ethyl-3-fluoropiperidin-4-ol
CID 67202820
1-ethyl-3-fluoropiperidin-4-ol
CID 58266532
trans-(1R,2R)-2-fluoro-N-propan-2-ylcyclopentan-1-amine
CID 126847843
trans-(1S,2S)-2-fluoro-N-propan-2-ylcyclohexan-1-amine
CID 165095676
(3R)-3-(difluoromethyl)-1-ethylpyrrolidine
CID 130339062
(3R,4S)-1-ethyl-N,3-dimethylpiperidin-4-amine
CID 94244956
trans-(1R,2R)-N-butan-2-yl-2-fluorocyclohexan-1-amine
CID 126847801
(3S)-1-ethylpyrrolidin-3-amine
CID 10678211
(3S,4R)-1-ethyl-3-fluoro-4-(4-methylpent-2-ynoxy)piperidine
CID 169213752
2-[(1-ethylpyrrolidin-3-yl)amino]propanenitrile
CID 130921557

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-ethyl-3-fluoro-N-propan-2-ylpiperidin-4-amine?
The IUPAC name of (3R,4S)-1-ethyl-3-fluoro-N-propan-2-ylpiperidin-4-amine (CID 172535668) is (3R,4S)-1-ethyl-3-fluoro-N-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for (3R,4S)-1-ethyl-3-fluoro-N-propan-2-ylpiperidin-4-amine?
The canonical SMILES for (3R,4S)-1-ethyl-3-fluoro-N-propan-2-ylpiperidin-4-amine is CCN1CC[C@H](NC(C)C)[C@H](F)C1.
What is the InChIKey of (3R,4S)-1-ethyl-3-fluoro-N-propan-2-ylpiperidin-4-amine?
The InChIKey is FLRLKFJZWXOJSM-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H21FN2/c1-4-13-6-5-10(9(11)7-13)12-8(2)3/h8-10,12H,4-7H2,1-3H3/t9-,10+/m1/s1.
What are the key properties of (3R,4S)-1-ethyl-3-fluoro-N-propan-2-ylpiperidin-4-amine?
(3R,4S)-1-ethyl-3-fluoro-N-propan-2-ylpiperidin-4-amine has a molecular weight of 188.29 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-ethyl-3-fluoro-N-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 172535668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).