N,N-dimethyl-2-(2-methylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)ethanamine

C18H31N3 — CID 83978741

IUPACN,N-dimethyl-2-(2-methylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)ethanamine
SMILESCC(C)c1ccc(C(CN(C)C)N2CCNCC2C)cc1
InChIInChI=1S/C18H31N3/c1-14(2)16-6-8-17(9-7-16)18(13-20(4)5)21-11-10-19-12-15(21)3/h6-9,14-15,18-19H,10-13H2,1-5H3
InChIKeyWMCFZQWACAHOOW-UHFFFAOYSA-N
MW289.47 g/mol
LogP2.71
Rot. Bonds5

About N,N-dimethyl-2-(2-methylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)ethanamine

N,N-dimethyl-2-(2-methylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)ethanamine (PubChem CID 83978741) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is N,N-dimethyl-2-(2-methylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(2-methylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)ethanamine
PubChem CID83978741
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC NameN,N-dimethyl-2-(2-methylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)ethanamine
SMILESCC(C)c1ccc(C(CN(C)C)N2CCNCC2C)cc1
InChIInChI=1S/C18H31N3/c1-14(2)16-6-8-17(9-7-16)18(13-20(4)5)21-11-10-19-12-15(21)3/h6-9,14-15,18-19H,10-13H2,1-5H3
InChIKeyWMCFZQWACAHOOW-UHFFFAOYSA-N
XLogP2.71
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(dimethylamino)-1-(2-methylpiperazin-1-yl)ethyl]phenol
CID 83977987
2-(furan-2-yl)-N,N-dimethyl-2-(2-methylpiperazin-1-yl)ethanamine
CID 83978834
N,N-dimethyl-2-(2-methylpiperazin-1-yl)-2-thiophen-2-ylethanamine
CID 83979376
N,N-dimethyl-4-[1-(2-methylpiperazin-1-yl)-2-(4-methylpiperazin-1-yl)ethyl]aniline
CID 112539324
2-[4-(diethylamino)phenyl]-2-(2-methylpiperazin-1-yl)ethanol
CID 83978231
(2S)-1-[(1R)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethyl]-2-methylpiperazine
CID 10149558
(2S)-2-methyl-1-propan-2-ylpiperazine;dihydrochloride
CID 57463733
2-(3,4-dimethoxyphenyl)-2-(2-methylpiperazin-1-yl)ethanol
CID 83978276
(2S)-1-[bis(4-fluorophenyl)methyl]-2-methylpiperazine;hydrochloride
CID 162512220
2-(2-methylpiperazin-1-yl)-2-(4-pentoxyphenyl)ethanol
CID 83978662
2-(4-methoxy-3-propan-2-yloxyphenyl)-2-(2-methylpiperazin-1-yl)ethanol
CID 83979558
1-(2-methylpiperazin-1-yl)-3-(4-propan-2-ylphenyl)propan-1-one;hydrochloride
CID 119473497

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(2-methylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)ethanamine?
The IUPAC name of N,N-dimethyl-2-(2-methylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)ethanamine (CID 83978741) is N,N-dimethyl-2-(2-methylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)ethanamine.
What is the SMILES notation for N,N-dimethyl-2-(2-methylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)ethanamine?
The canonical SMILES for N,N-dimethyl-2-(2-methylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)ethanamine is CC(C)c1ccc(C(CN(C)C)N2CCNCC2C)cc1.
What is the InChIKey of N,N-dimethyl-2-(2-methylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)ethanamine?
The InChIKey is WMCFZQWACAHOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-14(2)16-6-8-17(9-7-16)18(13-20(4)5)21-11-10-19-12-15(21)3/h6-9,14-15,18-19H,10-13H2,1-5H3.
What are the key properties of N,N-dimethyl-2-(2-methylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)ethanamine?
N,N-dimethyl-2-(2-methylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)ethanamine has a molecular weight of 289.47 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(2-methylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)ethanamine is sourced from PubChem (CID 83978741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).