N-[(3-ethyl-2-pyridinyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine

C15H22F3N3 — CID 82733889

IUPACN-[(3-ethyl-2-pyridinyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCCc1cccnc1CNC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C15H22F3N3/c1-2-12-4-3-7-19-14(12)10-20-13-5-8-21(9-6-13)11-15(16,17)18/h3-4,7,13,20H,2,5-6,8-11H2,1H3
InChIKeyVVKQIXQSMKJRCC-UHFFFAOYSA-N
MW301.36 g/mol
LogP2.76
Rot. Bonds5

About N-[(3-ethyl-2-pyridinyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine

N-[(3-ethyl-2-pyridinyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 82733889) has the molecular formula C15H22F3N3 and a molecular weight of 301.36 g/mol. Its IUPAC name is N-[(3-ethyl-2-pyridinyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[(3-ethyl-2-pyridinyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID82733889
Molecular FormulaC15H22F3N3
Molecular Weight301.36 g/mol
Exact Mass301.18
IUPAC NameN-[(3-ethyl-2-pyridinyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCCc1cccnc1CNC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C15H22F3N3/c1-2-12-4-3-7-19-14(12)10-20-13-5-8-21(9-6-13)11-15(16,17)18/h3-4,7,13,20H,2,5-6,8-11H2,1H3
InChIKeyVVKQIXQSMKJRCC-UHFFFAOYSA-N
XLogP2.76
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methyl-2-pyridinyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 63306014
N-[(3-ethyl-2-pyridinyl)methyl]oxetan-3-amine
CID 82732740
N-[(2-bromophenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 61402160
3-N-[(3-ethyl-2-pyridinyl)methyl]cyclopentane-1,3-diamine
CID 82733670
3-cyclopropyl-N-[(3-ethyl-2-pyridinyl)methyl]cyclohexan-1-amine
CID 82733186
N-[(3-ethyl-2-pyridinyl)methyl]-3,3-dimethylcyclopentan-1-amine
CID 82731912
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 103096714
N-(2-pyridin-2-ylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43761376
N-[(3-ethyl-2-pyridinyl)methyl]-2-methyloxan-4-amine
CID 82731940
N-(furan-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43754956
N-[(3-methylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43768782
6-bromo-N-[(3-ethyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 82731848

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-2-pyridinyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of N-[(3-ethyl-2-pyridinyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 82733889) is N-[(3-ethyl-2-pyridinyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for N-[(3-ethyl-2-pyridinyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for N-[(3-ethyl-2-pyridinyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine is CCc1cccnc1CNC1CCN(CC(F)(F)F)CC1.
What is the InChIKey of N-[(3-ethyl-2-pyridinyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is VVKQIXQSMKJRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N3/c1-2-12-4-3-7-19-14(12)10-20-13-5-8-21(9-6-13)11-15(16,17)18/h3-4,7,13,20H,2,5-6,8-11H2,1H3.
What are the key properties of N-[(3-ethyl-2-pyridinyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
N-[(3-ethyl-2-pyridinyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine has a molecular weight of 301.36 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-2-pyridinyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 82733889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).