N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-5-(trifluoromethyl)pyridin-2-amine

C18H22F3N5 — CID 133307275

IUPACN-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-5-(trifluoromethyl)pyridin-2-amine
SMILESCC(CN1CCN(c2ccccn2)CC1)Nc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C18H22F3N5/c1-14(24-16-6-5-15(12-23-16)18(19,20)21)13-25-8-10-26(11-9-25)17-4-2-3-7-22-17/h2-7,12,14H,8-11,13H2,1H3,(H,23,24)
InChIKeyHLKCMLDGHBSJEL-UHFFFAOYSA-N
MW365.40 g/mol
LogP3.12
Rot. Bonds5

About N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-5-(trifluoromethyl)pyridin-2-amine

N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 133307275) has the molecular formula C18H22F3N5 and a molecular weight of 365.40 g/mol. Its IUPAC name is N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-5-(trifluoromethyl)pyridin-2-amine
PubChem CID133307275
Molecular FormulaC18H22F3N5
Molecular Weight365.40 g/mol
Exact Mass365.18
IUPAC NameN-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-5-(trifluoromethyl)pyridin-2-amine
SMILESCC(CN1CCN(c2ccccn2)CC1)Nc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C18H22F3N5/c1-14(24-16-6-5-15(12-23-16)18(19,20)21)13-25-8-10-26(11-9-25)17-4-2-3-7-22-17/h2-7,12,14H,8-11,13H2,1H3,(H,23,24)
InChIKeyHLKCMLDGHBSJEL-UHFFFAOYSA-N
XLogP3.12
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-6-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]pyridine-3-carboxamide
CID 133307236
5-piperidin-1-ylsulfonyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]pyridin-2-amine
CID 133307271
6-methylsulfanyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]pyridazin-3-amine
CID 133307184
6-ethyl-2-methyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]pyrimidin-4-amine
CID 133460945
6-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133339849
N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-2-(trifluoromethyl)benzenesulfonamide
CID 86969810
1-pyridin-2-yl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 763101
2-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol
CID 115872740
2-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]-1,3-thiazole-5-sulfonamide
CID 133307208
(2S)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-amine
CID 22689446
3-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-amine
CID 80544367
1-phenyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]tetrazol-5-amine
CID 133307272

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-5-(trifluoromethyl)pyridin-2-amine (CID 133307275) is N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-5-(trifluoromethyl)pyridin-2-amine is CC(CN1CCN(c2ccccn2)CC1)Nc1ccc(C(F)(F)F)cn1.
What is the InChIKey of N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is HLKCMLDGHBSJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N5/c1-14(24-16-6-5-15(12-23-16)18(19,20)21)13-25-8-10-26(11-9-25)17-4-2-3-7-22-17/h2-7,12,14H,8-11,13H2,1H3,(H,23,24).
What are the key properties of N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-5-(trifluoromethyl)pyridin-2-amine?
N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 365.40 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 133307275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).