N-(4-methylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine

C14H21F3N4 — CID 83011013

IUPACN-(4-methylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
SMILESCN1CCN(NC(CN)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C14H21F3N4/c1-20-6-8-21(9-7-20)19-13(10-18)11-2-4-12(5-3-11)14(15,16)17/h2-5,13,19H,6-10,18H2,1H3
InChIKeyWMRFCUDYCBVBDC-UHFFFAOYSA-N
MW302.34 g/mol
LogP1.46
Rot. Bonds4

About N-(4-methylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine

N-(4-methylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine (PubChem CID 83011013) has the molecular formula C14H21F3N4 and a molecular weight of 302.34 g/mol. Its IUPAC name is N-(4-methylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-(4-methylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
PubChem CID83011013
Molecular FormulaC14H21F3N4
Molecular Weight302.34 g/mol
Exact Mass302.17
IUPAC NameN-(4-methylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
SMILESCN1CCN(NC(CN)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C14H21F3N4/c1-20-6-8-21(9-7-20)19-13(10-18)11-2-4-12(5-3-11)14(15,16)17/h2-5,13,19H,6-10,18H2,1H3
InChIKeyWMRFCUDYCBVBDC-UHFFFAOYSA-N
XLogP1.46
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine?
The IUPAC name of N-(4-methylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine (CID 83011013) is N-(4-methylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine.
What is the SMILES notation for N-(4-methylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine?
The canonical SMILES for N-(4-methylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine is CN1CCN(NC(CN)c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of N-(4-methylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine?
The InChIKey is WMRFCUDYCBVBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N4/c1-20-6-8-21(9-7-20)19-13(10-18)11-2-4-12(5-3-11)14(15,16)17/h2-5,13,19H,6-10,18H2,1H3.
What are the key properties of N-(4-methylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine?
N-(4-methylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine has a molecular weight of 302.34 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine is sourced from PubChem (CID 83011013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).