N-methyl-4-phenyl-N-(2-piperazin-1-ylethyl)butan-2-amine

C17H29N3 — CID 63267619

IUPACN-methyl-4-phenyl-N-(2-piperazin-1-ylethyl)butan-2-amine
SMILESCC(CCc1ccccc1)N(C)CCN1CCNCC1
InChIInChI=1S/C17H29N3/c1-16(8-9-17-6-4-3-5-7-17)19(2)14-15-20-12-10-18-11-13-20/h3-7,16,18H,8-15H2,1-2H3
InChIKeyIRVBYBHUPAWHAU-UHFFFAOYSA-N
MW275.44 g/mol
LogP1.84
Rot. Bonds7

About N-methyl-4-phenyl-N-(2-piperazin-1-ylethyl)butan-2-amine

N-methyl-4-phenyl-N-(2-piperazin-1-ylethyl)butan-2-amine (PubChem CID 63267619) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is N-methyl-4-phenyl-N-(2-piperazin-1-ylethyl)butan-2-amine.

Molecular Properties

Compound NameN-methyl-4-phenyl-N-(2-piperazin-1-ylethyl)butan-2-amine
PubChem CID63267619
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC NameN-methyl-4-phenyl-N-(2-piperazin-1-ylethyl)butan-2-amine
SMILESCC(CCc1ccccc1)N(C)CCN1CCNCC1
InChIInChI=1S/C17H29N3/c1-16(8-9-17-6-4-3-5-7-17)19(2)14-15-20-12-10-18-11-13-20/h3-7,16,18H,8-15H2,1-2H3
InChIKeyIRVBYBHUPAWHAU-UHFFFAOYSA-N
XLogP1.84
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-4-phenyl-N-(2-phenylethyl)butan-2-amine;hydrochloride
CID 158803245
N-methyl-4-phenyl-N-propylbutan-2-amine
CID 90881559
bis(1-(2-phenylethyl)piperazine);dihydrochloride
CID 102602644
N-methyl-4-phenyl-N-(piperidin-4-ylmethyl)butan-2-amine
CID 79707519
N',N'-diethyl-N-methyl-N-(4-phenylbutan-2-yl)ethane-1,2-diamine
CID 2846550
2-[methyl(2-piperazin-1-ylethyl)amino]butanoic acid
CID 64661581
1-(2,6-difluorophenyl)-N-methyl-N-(2-piperazin-1-ylethyl)ethanamine
CID 63267675
N-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 63265460
N-methyl-N-(2-piperazin-1-ylethyl)-1-thiophen-2-ylpropan-1-amine
CID 63265653
1-(8-phenyloctyl)-1,4,7,10-tetrazacyclododecane
CID 137439180
1-(4-fluorophenyl)-N-methyl-N-(2-piperazin-1-ylethyl)propan-1-amine
CID 63267366
1-(3-fluorophenyl)-N-methyl-N-(2-piperazin-1-ylethyl)ethanamine
CID 55168867

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-phenyl-N-(2-piperazin-1-ylethyl)butan-2-amine?
The IUPAC name of N-methyl-4-phenyl-N-(2-piperazin-1-ylethyl)butan-2-amine (CID 63267619) is N-methyl-4-phenyl-N-(2-piperazin-1-ylethyl)butan-2-amine.
What is the SMILES notation for N-methyl-4-phenyl-N-(2-piperazin-1-ylethyl)butan-2-amine?
The canonical SMILES for N-methyl-4-phenyl-N-(2-piperazin-1-ylethyl)butan-2-amine is CC(CCc1ccccc1)N(C)CCN1CCNCC1.
What is the InChIKey of N-methyl-4-phenyl-N-(2-piperazin-1-ylethyl)butan-2-amine?
The InChIKey is IRVBYBHUPAWHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-16(8-9-17-6-4-3-5-7-17)19(2)14-15-20-12-10-18-11-13-20/h3-7,16,18H,8-15H2,1-2H3.
What are the key properties of N-methyl-4-phenyl-N-(2-piperazin-1-ylethyl)butan-2-amine?
N-methyl-4-phenyl-N-(2-piperazin-1-ylethyl)butan-2-amine has a molecular weight of 275.44 g/mol, XLogP of 1.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-phenyl-N-(2-piperazin-1-ylethyl)butan-2-amine is sourced from PubChem (CID 63267619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).