(3S,4S)-4-(2-fluoroethyl)-N-methylpiperidin-3-amine

C8H17FN2 — CID 59110301

IUPAC(3S,4S)-4-(2-fluoroethyl)-N-methylpiperidin-3-amine
SMILESCN[C@@H]1CNCC[C@H]1CCF
InChIInChI=1S/C8H17FN2/c1-10-8-6-11-5-3-7(8)2-4-9/h7-8,10-11H,2-6H2,1H3/t7-,8-/m1/s1
InChIKeyATXLUVSTMRUUNR-HTQZYQBOSA-N
MW160.24 g/mol
LogP0.54
Rot. Bonds3

About (3S,4S)-4-(2-fluoroethyl)-N-methylpiperidin-3-amine

(3S,4S)-4-(2-fluoroethyl)-N-methylpiperidin-3-amine (PubChem CID 59110301) has the molecular formula C8H17FN2 and a molecular weight of 160.24 g/mol. Its IUPAC name is (3S,4S)-4-(2-fluoroethyl)-N-methylpiperidin-3-amine.

Molecular Properties

Compound Name(3S,4S)-4-(2-fluoroethyl)-N-methylpiperidin-3-amine
PubChem CID59110301
Molecular FormulaC8H17FN2
Molecular Weight160.24 g/mol
Exact Mass160.14
IUPAC Name(3S,4S)-4-(2-fluoroethyl)-N-methylpiperidin-3-amine
SMILESCN[C@@H]1CNCC[C@H]1CCF
InChIInChI=1S/C8H17FN2/c1-10-8-6-11-5-3-7(8)2-4-9/h7-8,10-11H,2-6H2,1H3/t7-,8-/m1/s1
InChIKeyATXLUVSTMRUUNR-HTQZYQBOSA-N
XLogP0.54
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Methyl(2-(4-methylpiperidin-1-yl)ethyl)amine
CID 43199381
2-(Propan-2-yl)piperazine
CID 558976
N1-(4-piperidinylmethyl)-1,2-ethanediamine
CID 252485
(1-Isopropylpiperidin-4-yl)methanamine
CID 7258859
N-(piperidin-4-ylmethyl)pentan-1-amine
CID 44592949
(1-(2-(Dimethylamino)ethyl)piperidin-4-yl)methanamine
CID 28397654
2-(4-Methylpiperidin-1-yl)ethan-1-amine
CID 783700
1-(4-Methylpiperidin-1-yl)propan-2-amine
CID 12700153
Methyl[(piperidin-4-yl)methyl](propan-2-yl)amine
CID 16767853
2-(4-Ethylpiperidin-1-yl)ethanamine
CID 20819864
1-(1-Methylpiperidin-4-yl)ethan-1-amine
CID 21057734
N-(Propan-2-yl)piperidin-3-amine
CID 21278307

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-(2-fluoroethyl)-N-methylpiperidin-3-amine?
The IUPAC name of (3S,4S)-4-(2-fluoroethyl)-N-methylpiperidin-3-amine (CID 59110301) is (3S,4S)-4-(2-fluoroethyl)-N-methylpiperidin-3-amine.
What is the SMILES notation for (3S,4S)-4-(2-fluoroethyl)-N-methylpiperidin-3-amine?
The canonical SMILES for (3S,4S)-4-(2-fluoroethyl)-N-methylpiperidin-3-amine is CN[C@@H]1CNCC[C@H]1CCF.
What is the InChIKey of (3S,4S)-4-(2-fluoroethyl)-N-methylpiperidin-3-amine?
The InChIKey is ATXLUVSTMRUUNR-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H17FN2/c1-10-8-6-11-5-3-7(8)2-4-9/h7-8,10-11H,2-6H2,1H3/t7-,8-/m1/s1.
What are the key properties of (3S,4S)-4-(2-fluoroethyl)-N-methylpiperidin-3-amine?
(3S,4S)-4-(2-fluoroethyl)-N-methylpiperidin-3-amine has a molecular weight of 160.24 g/mol, XLogP of 0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-(2-fluoroethyl)-N-methylpiperidin-3-amine is sourced from PubChem (CID 59110301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).