N,N-dimethyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanamine

C14H21F3N4 — CID 174557120

IUPACN,N-dimethyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanamine
SMILESCN(C)CCN1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C14H21F3N4/c1-19(2)5-6-20-7-9-21(10-8-20)13-4-3-12(11-18-13)14(15,16)17/h3-4,11H,5-10H2,1-2H3
InChIKeyHMHHISXBWFQSJC-UHFFFAOYSA-N
MW302.34 g/mol
LogP1.78
Rot. Bonds4

About N,N-dimethyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanamine

N,N-dimethyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanamine (PubChem CID 174557120) has the molecular formula C14H21F3N4 and a molecular weight of 302.34 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanamine
PubChem CID174557120
Molecular FormulaC14H21F3N4
Molecular Weight302.34 g/mol
Exact Mass302.17
IUPAC NameN,N-dimethyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanamine
SMILESCN(C)CCN1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C14H21F3N4/c1-19(2)5-6-20-7-9-21(10-8-20)13-4-3-12(11-18-13)14(15,16)17/h3-4,11H,5-10H2,1-2H3
InChIKeyHMHHISXBWFQSJC-UHFFFAOYSA-N
XLogP1.78
TPSA22.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 829355
3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide
CID 38559713
N,N-diethyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
CID 78788187
1-(2-pyrazol-1-ylethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 47521346
6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]hexan-3-one
CID 91252320
1-[(5-chloro-1-methylimidazol-2-yl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 26601789
1-[(4-chlorophenyl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 45277944
6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridin-3-amine
CID 2741603
1-(2-methoxyethyl)-4-[5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]piperazine
CID 15951455
1-[(2-fluorophenyl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 78782251
3-piperidin-1-yl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine
CID 165433334
3,7-dimethyl-1-[3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]purine-2,6-dione
CID 43052568

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanamine (CID 174557120) is N,N-dimethyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanamine is CN(C)CCN1CCN(c2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of N,N-dimethyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanamine?
The InChIKey is HMHHISXBWFQSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N4/c1-19(2)5-6-20-7-9-21(10-8-20)13-4-3-12(11-18-13)14(15,16)17/h3-4,11H,5-10H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanamine?
N,N-dimethyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanamine has a molecular weight of 302.34 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanamine is sourced from PubChem (CID 174557120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).