N-ethyl-N-[(3,4,5-trifluorophenyl)methyl]piperidin-3-amine

C14H19F3N2 — CID 63636373

IUPACN-ethyl-N-[(3,4,5-trifluorophenyl)methyl]piperidin-3-amine
SMILESCCN(Cc1cc(F)c(F)c(F)c1)C1CCCNC1
InChIInChI=1S/C14H19F3N2/c1-2-19(11-4-3-5-18-8-11)9-10-6-12(15)14(17)13(16)7-10/h6-7,11,18H,2-5,8-9H2,1H3
InChIKeyQHBDVOIWFMUJSM-UHFFFAOYSA-N
MW272.31 g/mol
LogP2.68
Rot. Bonds4

About N-ethyl-N-[(3,4,5-trifluorophenyl)methyl]piperidin-3-amine

N-ethyl-N-[(3,4,5-trifluorophenyl)methyl]piperidin-3-amine (PubChem CID 63636373) has the molecular formula C14H19F3N2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N-ethyl-N-[(3,4,5-trifluorophenyl)methyl]piperidin-3-amine.

Molecular Properties

Compound NameN-ethyl-N-[(3,4,5-trifluorophenyl)methyl]piperidin-3-amine
PubChem CID63636373
Molecular FormulaC14H19F3N2
Molecular Weight272.31 g/mol
Exact Mass272.15
IUPAC NameN-ethyl-N-[(3,4,5-trifluorophenyl)methyl]piperidin-3-amine
SMILESCCN(Cc1cc(F)c(F)c(F)c1)C1CCCNC1
InChIInChI=1S/C14H19F3N2/c1-2-19(11-4-3-5-18-8-11)9-10-6-12(15)14(17)13(16)7-10/h6-7,11,18H,2-5,8-9H2,1H3
InChIKeyQHBDVOIWFMUJSM-UHFFFAOYSA-N
XLogP2.68
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-3-amine
CID 55244427
4-[[ethyl(piperidin-3-yl)amino]methyl]phenol
CID 63643977
N-[(5-bromothiophen-3-yl)methyl]-N-ethylpiperidin-3-amine
CID 63638010
N-[(3,5-dimethylphenyl)methyl]-N-propylpiperidin-3-amine
CID 63637242
N-[(3-bromo-5-nitrophenyl)methyl]-N-ethylpiperidin-3-amine
CID 103351309
2-bromo-4-[[ethyl(piperidin-3-yl)amino]methyl]-6-methoxyphenol
CID 63644353
6-[[ethyl(piperidin-3-yl)amino]methyl]-1,3,5-triazine-2,4-diamine
CID 63637130
N-[(2,6-dichlorophenyl)methyl]-N-ethylpiperidin-3-amine
CID 63643457
N-ethyl-N-[(3-ethylimidazol-4-yl)methyl]piperidin-3-amine
CID 66135560
(3S)-N-benzyl-N-ethylpyrrolidin-3-amine
CID 66569411
N-benzyl-N-ethylpyrrolidin-3-amine
CID 53410837
N-ethyl-N-propylpiperidin-3-amine
CID 43317075

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(3,4,5-trifluorophenyl)methyl]piperidin-3-amine?
The IUPAC name of N-ethyl-N-[(3,4,5-trifluorophenyl)methyl]piperidin-3-amine (CID 63636373) is N-ethyl-N-[(3,4,5-trifluorophenyl)methyl]piperidin-3-amine.
What is the SMILES notation for N-ethyl-N-[(3,4,5-trifluorophenyl)methyl]piperidin-3-amine?
The canonical SMILES for N-ethyl-N-[(3,4,5-trifluorophenyl)methyl]piperidin-3-amine is CCN(Cc1cc(F)c(F)c(F)c1)C1CCCNC1.
What is the InChIKey of N-ethyl-N-[(3,4,5-trifluorophenyl)methyl]piperidin-3-amine?
The InChIKey is QHBDVOIWFMUJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2/c1-2-19(11-4-3-5-18-8-11)9-10-6-12(15)14(17)13(16)7-10/h6-7,11,18H,2-5,8-9H2,1H3.
What are the key properties of N-ethyl-N-[(3,4,5-trifluorophenyl)methyl]piperidin-3-amine?
N-ethyl-N-[(3,4,5-trifluorophenyl)methyl]piperidin-3-amine has a molecular weight of 272.31 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(3,4,5-trifluorophenyl)methyl]piperidin-3-amine is sourced from PubChem (CID 63636373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).