6-(4-methylpiperazin-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-3-amine

C18H21F3N4O — CID 71848017

IUPAC6-(4-methylpiperazin-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-3-amine
SMILESCN1CCN(c2ccc(NCc3ccc(OC(F)(F)F)cc3)cn2)CC1
InChIInChI=1S/C18H21F3N4O/c1-24-8-10-25(11-9-24)17-7-4-15(13-23-17)22-12-14-2-5-16(6-3-14)26-18(19,20)21/h2-7,13,22H,8-12H2,1H3
InChIKeyJUKLNQRHSJVKMT-UHFFFAOYSA-N
MW366.39 g/mol
LogP3.34
Rot. Bonds5

About 6-(4-methylpiperazin-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-3-amine

6-(4-methylpiperazin-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-3-amine (PubChem CID 71848017) has the molecular formula C18H21F3N4O and a molecular weight of 366.39 g/mol. Its IUPAC name is 6-(4-methylpiperazin-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-3-amine.

Molecular Properties

Compound Name6-(4-methylpiperazin-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-3-amine
PubChem CID71848017
Molecular FormulaC18H21F3N4O
Molecular Weight366.39 g/mol
Exact Mass366.17
IUPAC Name6-(4-methylpiperazin-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-3-amine
SMILESCN1CCN(c2ccc(NCc3ccc(OC(F)(F)F)cc3)cn2)CC1
InChIInChI=1S/C18H21F3N4O/c1-24-8-10-25(11-9-24)17-7-4-15(13-23-17)22-12-14-2-5-16(6-3-14)26-18(19,20)21/h2-7,13,22H,8-12H2,1H3
InChIKeyJUKLNQRHSJVKMT-UHFFFAOYSA-N
XLogP3.34
TPSA40.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpiperazin-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-3-amine?
The IUPAC name of 6-(4-methylpiperazin-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-3-amine (CID 71848017) is 6-(4-methylpiperazin-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-3-amine.
What is the SMILES notation for 6-(4-methylpiperazin-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-3-amine?
The canonical SMILES for 6-(4-methylpiperazin-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-3-amine is CN1CCN(c2ccc(NCc3ccc(OC(F)(F)F)cc3)cn2)CC1.
What is the InChIKey of 6-(4-methylpiperazin-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-3-amine?
The InChIKey is JUKLNQRHSJVKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N4O/c1-24-8-10-25(11-9-24)17-7-4-15(13-23-17)22-12-14-2-5-16(6-3-14)26-18(19,20)21/h2-7,13,22H,8-12H2,1H3.
What are the key properties of 6-(4-methylpiperazin-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-3-amine?
6-(4-methylpiperazin-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-3-amine has a molecular weight of 366.39 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpiperazin-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-3-amine is sourced from PubChem (CID 71848017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).