N-ethyl-2,2,2-trifluoro-N-(piperidin-4-ylmethyl)ethanamine;hydrochloride

C10H20ClF3N2 — CID 119930511

IUPACN-ethyl-2,2,2-trifluoro-N-(piperidin-4-ylmethyl)ethanamine;hydrochloride
SMILESCCN(CC1CCNCC1)CC(F)(F)F.Cl
InChIInChI=1S/C10H19F3N2.ClH/c1-2-15(8-10(11,12)13)7-9-3-5-14-6-4-9;/h9,14H,2-8H2,1H3;1H
InChIKeyBIGFZRUHBQJWEF-UHFFFAOYSA-N
MW260.73 g/mol
LogP2.29
Rot. Bonds4

About N-ethyl-2,2,2-trifluoro-N-(piperidin-4-ylmethyl)ethanamine;hydrochloride

N-ethyl-2,2,2-trifluoro-N-(piperidin-4-ylmethyl)ethanamine;hydrochloride (PubChem CID 119930511) has the molecular formula C10H20ClF3N2 and a molecular weight of 260.73 g/mol. Its IUPAC name is N-ethyl-2,2,2-trifluoro-N-(piperidin-4-ylmethyl)ethanamine;hydrochloride.

Molecular Properties

Compound NameN-ethyl-2,2,2-trifluoro-N-(piperidin-4-ylmethyl)ethanamine;hydrochloride
PubChem CID119930511
Molecular FormulaC10H20ClF3N2
Molecular Weight260.73 g/mol
Exact Mass260.13
IUPAC NameN-ethyl-2,2,2-trifluoro-N-(piperidin-4-ylmethyl)ethanamine;hydrochloride
SMILESCCN(CC1CCNCC1)CC(F)(F)F.Cl
InChIInChI=1S/C10H19F3N2.ClH/c1-2-15(8-10(11,12)13)7-9-3-5-14-6-4-9;/h9,14H,2-8H2,1H3;1H
InChIKeyBIGFZRUHBQJWEF-UHFFFAOYSA-N
XLogP2.29
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.73
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[ethyl(piperidin-4-ylmethyl)amino]-2-methylpropan-2-ol
CID 79716731
N,N-diethyl-N'-piperidin-4-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 64852960
[3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride
CID 119896789
methyl 3-[ethyl(piperidin-4-ylmethyl)amino]-2-hydroxy-2-methylpropanoate
CID 113436629
N-ethyl-N-(piperidin-4-ylmethyl)hexan-1-amine
CID 79715887
N-ethyl-2-methylidene-N-(piperidin-4-ylmethyl)butan-1-amine
CID 79716490
2-[ethyl(piperidin-4-ylmethyl)amino]acetamide
CID 79716882
2-tert-butylsulfonyl-N-ethyl-N-(piperidin-4-ylmethyl)ethanamine
CID 106728026
N-ethyl-3-piperidin-4-yl-N-(2,2,2-trifluoroethyl)propanamide
CID 55048264
5-[ethyl(piperidin-4-ylmethyl)amino]pentan-1-ol
CID 79716629
N-[2-(azetidin-3-yl)ethyl]-N-ethyl-2,2,2-trifluoroethanamine
CID 116679782
N,N-dimethyl-1-piperidin-4-ylmethanamine;dihydrochloride
CID 23153381

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2,2-trifluoro-N-(piperidin-4-ylmethyl)ethanamine;hydrochloride?
The IUPAC name of N-ethyl-2,2,2-trifluoro-N-(piperidin-4-ylmethyl)ethanamine;hydrochloride (CID 119930511) is N-ethyl-2,2,2-trifluoro-N-(piperidin-4-ylmethyl)ethanamine;hydrochloride.
What is the SMILES notation for N-ethyl-2,2,2-trifluoro-N-(piperidin-4-ylmethyl)ethanamine;hydrochloride?
The canonical SMILES for N-ethyl-2,2,2-trifluoro-N-(piperidin-4-ylmethyl)ethanamine;hydrochloride is CCN(CC1CCNCC1)CC(F)(F)F.Cl.
What is the InChIKey of N-ethyl-2,2,2-trifluoro-N-(piperidin-4-ylmethyl)ethanamine;hydrochloride?
The InChIKey is BIGFZRUHBQJWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2.ClH/c1-2-15(8-10(11,12)13)7-9-3-5-14-6-4-9;/h9,14H,2-8H2,1H3;1H.
What are the key properties of N-ethyl-2,2,2-trifluoro-N-(piperidin-4-ylmethyl)ethanamine;hydrochloride?
N-ethyl-2,2,2-trifluoro-N-(piperidin-4-ylmethyl)ethanamine;hydrochloride has a molecular weight of 260.73 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2,2-trifluoro-N-(piperidin-4-ylmethyl)ethanamine;hydrochloride is sourced from PubChem (CID 119930511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).