N-(4-methylpiperazin-1-yl)-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine

C16H28N4O — CID 83010902

IUPACN-(4-methylpiperazin-1-yl)-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
SMILESCC(C)Oc1ccc(C(CN)NN2CCN(C)CC2)cc1
InChIInChI=1S/C16H28N4O/c1-13(2)21-15-6-4-14(5-7-15)16(12-17)18-20-10-8-19(3)9-11-20/h4-7,13,16,18H,8-12,17H2,1-3H3
InChIKeyFRHLFVGVSFXNLY-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.23
Rot. Bonds6

About N-(4-methylpiperazin-1-yl)-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine

N-(4-methylpiperazin-1-yl)-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine (PubChem CID 83010902) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is N-(4-methylpiperazin-1-yl)-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(4-methylpiperazin-1-yl)-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
PubChem CID83010902
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC NameN-(4-methylpiperazin-1-yl)-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
SMILESCC(C)Oc1ccc(C(CN)NN2CCN(C)CC2)cc1
InChIInChI=1S/C16H28N4O/c1-13(2)21-15-6-4-14(5-7-15)16(12-17)18-20-10-8-19(3)9-11-20/h4-7,13,16,18H,8-12,17H2,1-3H3
InChIKeyFRHLFVGVSFXNLY-UHFFFAOYSA-N
XLogP1.23
TPSA53.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 83011013
1-(3,4-dimethoxyphenyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine
CID 83011011
1-(4-bromo-3-methylphenyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine
CID 83011981
1-[4-(difluoromethoxy)phenyl]-N-piperidin-1-ylethane-1,2-diamine
CID 83011708
1-(4-methoxy-3-methylphenyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine
CID 83012185
1-(3-fluoro-4-methylphenyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine
CID 83011747
1-(3-fluoro-4-methoxyphenyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine
CID 83010716
N-piperidin-1-yl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 83011231
N-(4-methylpiperazin-1-yl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 83012078
1-(5-bromofuran-2-yl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine
CID 83011979
1-[4-(difluoromethyl)phenyl]-N-piperidin-1-ylethane-1,2-diamine
CID 83011833
methyl 2-(4-methoxyphenyl)-2-[(4-methylpiperazin-1-yl)amino]acetate
CID 82344743

Frequently Asked Questions

What is the IUPAC name of N-(4-methylpiperazin-1-yl)-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine?
The IUPAC name of N-(4-methylpiperazin-1-yl)-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine (CID 83010902) is N-(4-methylpiperazin-1-yl)-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-(4-methylpiperazin-1-yl)-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine?
The canonical SMILES for N-(4-methylpiperazin-1-yl)-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine is CC(C)Oc1ccc(C(CN)NN2CCN(C)CC2)cc1.
What is the InChIKey of N-(4-methylpiperazin-1-yl)-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine?
The InChIKey is FRHLFVGVSFXNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-13(2)21-15-6-4-14(5-7-15)16(12-17)18-20-10-8-19(3)9-11-20/h4-7,13,16,18H,8-12,17H2,1-3H3.
What are the key properties of N-(4-methylpiperazin-1-yl)-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine?
N-(4-methylpiperazin-1-yl)-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine has a molecular weight of 292.43 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpiperazin-1-yl)-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 83010902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).