N-(2-fluoroethyl)-N-[(2R)-4-fluoro-1-methoxybutan-2-yl]-1-methylpiperidin-4-amine

C13H26F2N2O — CID 135170116

IUPACN-(2-fluoroethyl)-N-[(2R)-4-fluoro-1-methoxybutan-2-yl]-1-methylpiperidin-4-amine
SMILESCOC[C@@H](CCF)N(CCF)C1CCN(C)CC1
InChIInChI=1S/C13H26F2N2O/c1-16-8-4-12(5-9-16)17(10-7-15)13(3-6-14)11-18-2/h12-13H,3-11H2,1-2H3/t13-/m1/s1
InChIKeyHVNCKZSPFJNTNZ-CYBMUJFWSA-N
MW264.36 g/mol
LogP1.73
Rot. Bonds8

About N-(2-fluoroethyl)-N-[(2R)-4-fluoro-1-methoxybutan-2-yl]-1-methylpiperidin-4-amine

N-(2-fluoroethyl)-N-[(2R)-4-fluoro-1-methoxybutan-2-yl]-1-methylpiperidin-4-amine (PubChem CID 135170116) has the molecular formula C13H26F2N2O and a molecular weight of 264.36 g/mol. Its IUPAC name is N-(2-fluoroethyl)-N-[(2R)-4-fluoro-1-methoxybutan-2-yl]-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-(2-fluoroethyl)-N-[(2R)-4-fluoro-1-methoxybutan-2-yl]-1-methylpiperidin-4-amine
PubChem CID135170116
Molecular FormulaC13H26F2N2O
Molecular Weight264.36 g/mol
Exact Mass264.20
IUPAC NameN-(2-fluoroethyl)-N-[(2R)-4-fluoro-1-methoxybutan-2-yl]-1-methylpiperidin-4-amine
SMILESCOC[C@@H](CCF)N(CCF)C1CCN(C)CC1
InChIInChI=1S/C13H26F2N2O/c1-16-8-4-12(5-9-16)17(10-7-15)13(3-6-14)11-18-2/h12-13H,3-11H2,1-2H3/t13-/m1/s1
InChIKeyHVNCKZSPFJNTNZ-CYBMUJFWSA-N
XLogP1.73
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-N-[(2R)-4-fluoro-1-methoxybutan-2-yl]-1-methylpiperidin-4-amine?
The IUPAC name of N-(2-fluoroethyl)-N-[(2R)-4-fluoro-1-methoxybutan-2-yl]-1-methylpiperidin-4-amine (CID 135170116) is N-(2-fluoroethyl)-N-[(2R)-4-fluoro-1-methoxybutan-2-yl]-1-methylpiperidin-4-amine.
What is the SMILES notation for N-(2-fluoroethyl)-N-[(2R)-4-fluoro-1-methoxybutan-2-yl]-1-methylpiperidin-4-amine?
The canonical SMILES for N-(2-fluoroethyl)-N-[(2R)-4-fluoro-1-methoxybutan-2-yl]-1-methylpiperidin-4-amine is COC[C@@H](CCF)N(CCF)C1CCN(C)CC1.
What is the InChIKey of N-(2-fluoroethyl)-N-[(2R)-4-fluoro-1-methoxybutan-2-yl]-1-methylpiperidin-4-amine?
The InChIKey is HVNCKZSPFJNTNZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H26F2N2O/c1-16-8-4-12(5-9-16)17(10-7-15)13(3-6-14)11-18-2/h12-13H,3-11H2,1-2H3/t13-/m1/s1.
What are the key properties of N-(2-fluoroethyl)-N-[(2R)-4-fluoro-1-methoxybutan-2-yl]-1-methylpiperidin-4-amine?
N-(2-fluoroethyl)-N-[(2R)-4-fluoro-1-methoxybutan-2-yl]-1-methylpiperidin-4-amine has a molecular weight of 264.36 g/mol, XLogP of 1.73, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-N-[(2R)-4-fluoro-1-methoxybutan-2-yl]-1-methylpiperidin-4-amine is sourced from PubChem (CID 135170116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).