1-[4-(aminomethyl)piperidin-1-yl]-2,2,2-trifluoroethanone

C8H13F3N2O — CID 54595643

IUPAC1-[4-(aminomethyl)piperidin-1-yl]-2,2,2-trifluoroethanone
SMILESNCC1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C8H13F3N2O/c9-8(10,11)7(14)13-3-1-6(5-12)2-4-13/h6H,1-5,12H2
InChIKeyNSFVWPLSZMMWAR-UHFFFAOYSA-N
MW210.20 g/mol
LogP0.75
Rot. Bonds1

About 1-[4-(aminomethyl)piperidin-1-yl]-2,2,2-trifluoroethanone

1-[4-(aminomethyl)piperidin-1-yl]-2,2,2-trifluoroethanone (PubChem CID 54595643) has the molecular formula C8H13F3N2O and a molecular weight of 210.20 g/mol. Its IUPAC name is 1-[4-(aminomethyl)piperidin-1-yl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[4-(aminomethyl)piperidin-1-yl]-2,2,2-trifluoroethanone
PubChem CID54595643
Molecular FormulaC8H13F3N2O
Molecular Weight210.20 g/mol
Exact Mass210.10
IUPAC Name1-[4-(aminomethyl)piperidin-1-yl]-2,2,2-trifluoroethanone
SMILESNCC1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C8H13F3N2O/c9-8(10,11)7(14)13-3-1-6(5-12)2-4-13/h6H,1-5,12H2
InChIKeyNSFVWPLSZMMWAR-UHFFFAOYSA-N
XLogP0.75
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-(Aminomethyl)piperidin-1-yl)ethan-1-one
CID 12687022
N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 16228133
1-[4-(2-Aminoethyl)piperidin-1-yl]ethan-1-one
CID 19697699
1-(1-Isobutyrylpiperidin-4-yl)methanamine
CID 42562155
N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide hydrochloride
CID 42933701
2,2,2-trifluoro-N-[(piperidin-3-yl)methyl]acetamide hydrochloride
CID 87602175
2,2,2-trifluoro-N-(4-methylpiperidin-3-yl)acetamide
CID 122702900
2,2,2-Trifluoro-N-(piperidin-4-ylmethyl)acetamide
CID 17998885
rac-2,2,2-trifluoro-N-((3R,4R)-4-methylpiperidin-3-yl)acetamide
CID 124251655
1-(cis-3,5-Difluoro-4-methylpiperidin-1-yl)-2,2,2-trifluoroethan-1-one
CID 134827912
2,2,2-Trifluoro-1-(cis-3-fluoro-4-methylpiperidin-1-yl)ethan-1-one
CID 134827931
N-methyl-2-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]acetamide
CID 50968311

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)piperidin-1-yl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[4-(aminomethyl)piperidin-1-yl]-2,2,2-trifluoroethanone (CID 54595643) is 1-[4-(aminomethyl)piperidin-1-yl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[4-(aminomethyl)piperidin-1-yl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[4-(aminomethyl)piperidin-1-yl]-2,2,2-trifluoroethanone is NCC1CCN(C(=O)C(F)(F)F)CC1.
What is the InChIKey of 1-[4-(aminomethyl)piperidin-1-yl]-2,2,2-trifluoroethanone?
The InChIKey is NSFVWPLSZMMWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O/c9-8(10,11)7(14)13-3-1-6(5-12)2-4-13/h6H,1-5,12H2.
What are the key properties of 1-[4-(aminomethyl)piperidin-1-yl]-2,2,2-trifluoroethanone?
1-[4-(aminomethyl)piperidin-1-yl]-2,2,2-trifluoroethanone has a molecular weight of 210.20 g/mol, XLogP of 0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)piperidin-1-yl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 54595643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).