1-[4-(ethylaminomethyl)piperidin-1-yl]-3,3,3-trifluoropropan-1-one

C11H19F3N2O — CID 80551523

IUPAC1-[4-(ethylaminomethyl)piperidin-1-yl]-3,3,3-trifluoropropan-1-one
SMILESCCNCC1CCN(C(=O)CC(F)(F)F)CC1
InChIInChI=1S/C11H19F3N2O/c1-2-15-8-9-3-5-16(6-4-9)10(17)7-11(12,13)14/h9,15H,2-8H2,1H3
InChIKeyUNILFHFELCOUCX-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.79
Rot. Bonds4

About 1-[4-(ethylaminomethyl)piperidin-1-yl]-3,3,3-trifluoropropan-1-one

1-[4-(ethylaminomethyl)piperidin-1-yl]-3,3,3-trifluoropropan-1-one (PubChem CID 80551523) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is 1-[4-(ethylaminomethyl)piperidin-1-yl]-3,3,3-trifluoropropan-1-one.

Molecular Properties

Compound Name1-[4-(ethylaminomethyl)piperidin-1-yl]-3,3,3-trifluoropropan-1-one
PubChem CID80551523
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC Name1-[4-(ethylaminomethyl)piperidin-1-yl]-3,3,3-trifluoropropan-1-one
SMILESCCNCC1CCN(C(=O)CC(F)(F)F)CC1
InChIInChI=1S/C11H19F3N2O/c1-2-15-8-9-3-5-16(6-4-9)10(17)7-11(12,13)14/h9,15H,2-8H2,1H3
InChIKeyUNILFHFELCOUCX-UHFFFAOYSA-N
XLogP1.79
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethylpiperidine-4-carboxamide hydrochloride
CID 19872414
N,N-Diethyl-4-piperidinecarboxamide
CID 410920
N,N-dimethylpiperidine-4-carboxamide
CID 411689
N-[3-(dimethylamino)propyl]piperidine-4-carboxamide
CID 2186960
1-(4-(Aminomethyl)piperidin-1-yl)ethan-1-one
CID 12687022
N-(piperidin-4-ylmethyl)acetamide
CID 4341747
N-(2-(4-Piperidinyl)ethyl)acetamide
CID 4712038
N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 16228133
N-((1-methylpiperidin-4-yl)methyl)pivalamide
CID 16895339
N-((1-isopropylpiperidin-4-yl)methyl)isobutyramide
CID 16895472
N-ethylpiperidine-4-carboxamide hydrochloride
CID 13593162
1-[4-(2-Aminoethyl)piperidin-1-yl]ethan-1-one
CID 19697699

Frequently Asked Questions

What is the IUPAC name of 1-[4-(ethylaminomethyl)piperidin-1-yl]-3,3,3-trifluoropropan-1-one?
The IUPAC name of 1-[4-(ethylaminomethyl)piperidin-1-yl]-3,3,3-trifluoropropan-1-one (CID 80551523) is 1-[4-(ethylaminomethyl)piperidin-1-yl]-3,3,3-trifluoropropan-1-one.
What is the SMILES notation for 1-[4-(ethylaminomethyl)piperidin-1-yl]-3,3,3-trifluoropropan-1-one?
The canonical SMILES for 1-[4-(ethylaminomethyl)piperidin-1-yl]-3,3,3-trifluoropropan-1-one is CCNCC1CCN(C(=O)CC(F)(F)F)CC1.
What is the InChIKey of 1-[4-(ethylaminomethyl)piperidin-1-yl]-3,3,3-trifluoropropan-1-one?
The InChIKey is UNILFHFELCOUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O/c1-2-15-8-9-3-5-16(6-4-9)10(17)7-11(12,13)14/h9,15H,2-8H2,1H3.
What are the key properties of 1-[4-(ethylaminomethyl)piperidin-1-yl]-3,3,3-trifluoropropan-1-one?
1-[4-(ethylaminomethyl)piperidin-1-yl]-3,3,3-trifluoropropan-1-one has a molecular weight of 252.28 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(ethylaminomethyl)piperidin-1-yl]-3,3,3-trifluoropropan-1-one is sourced from PubChem (CID 80551523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).