N-methyl-N-[(3-methylphenyl)methyl]-2-piperazin-1-ylethanamine

C15H25N3 — CID 55137660

IUPACN-methyl-N-[(3-methylphenyl)methyl]-2-piperazin-1-ylethanamine
SMILESCc1cccc(CN(C)CCN2CCNCC2)c1
InChIInChI=1S/C15H25N3/c1-14-4-3-5-15(12-14)13-17(2)10-11-18-8-6-16-7-9-18/h3-5,12,16H,6-11,13H2,1-2H3
InChIKeyRXQPOIYIKJXVQD-UHFFFAOYSA-N
MW247.39 g/mol
LogP1.33
Rot. Bonds5

About N-methyl-N-[(3-methylphenyl)methyl]-2-piperazin-1-ylethanamine

N-methyl-N-[(3-methylphenyl)methyl]-2-piperazin-1-ylethanamine (PubChem CID 55137660) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is N-methyl-N-[(3-methylphenyl)methyl]-2-piperazin-1-ylethanamine.

Molecular Properties

Compound NameN-methyl-N-[(3-methylphenyl)methyl]-2-piperazin-1-ylethanamine
PubChem CID55137660
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC NameN-methyl-N-[(3-methylphenyl)methyl]-2-piperazin-1-ylethanamine
SMILESCc1cccc(CN(C)CCN2CCNCC2)c1
InChIInChI=1S/C15H25N3/c1-14-4-3-5-15(12-14)13-17(2)10-11-18-8-6-16-7-9-18/h3-5,12,16H,6-11,13H2,1-2H3
InChIKeyRXQPOIYIKJXVQD-UHFFFAOYSA-N
XLogP1.33
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-(3-methylphenyl)-N-(2-piperazin-1-ylethyl)acetamide
CID 63265575
1-[2-(3-methylphenyl)ethyl]piperazine;dihydrochloride
CID 137346950
4-methyl-2-[[methyl(2-piperazin-1-ylethyl)amino]methyl]phenol
CID 63325401
N-methyl-2-piperazin-1-yl-N-(thiophen-3-ylmethyl)ethanamine
CID 60850565
N-[(3-bromo-4-chlorophenyl)methyl]-N-methyl-2-piperazin-1-ylethanamine
CID 83230304
1-[(3-methylphenyl)methyl]piperazine;dihydrochloride
CID 3014358
N-[(3,5-dimethoxyphenyl)methyl]-N-methyl-2-piperazin-1-ylethanamine
CID 63267446
N-methyl-N-[(3-methylphenyl)methyl]-2-piperidin-4-ylsulfanylethanamine
CID 114628337
N,N-dimethyl-1-[3-(2-piperazin-1-ylethyl)phenyl]methanamine
CID 117372136
N-methyl-2-piperazin-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 63267585
2-(3-bromophenyl)-N-methyl-N-(2-piperazin-1-ylethyl)ethanamine
CID 115230425
N,2-dimethyl-N-[(3-methylphenyl)methyl]-2-piperazin-1-ylpropanamide
CID 80547402

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-methylphenyl)methyl]-2-piperazin-1-ylethanamine?
The IUPAC name of N-methyl-N-[(3-methylphenyl)methyl]-2-piperazin-1-ylethanamine (CID 55137660) is N-methyl-N-[(3-methylphenyl)methyl]-2-piperazin-1-ylethanamine.
What is the SMILES notation for N-methyl-N-[(3-methylphenyl)methyl]-2-piperazin-1-ylethanamine?
The canonical SMILES for N-methyl-N-[(3-methylphenyl)methyl]-2-piperazin-1-ylethanamine is Cc1cccc(CN(C)CCN2CCNCC2)c1.
What is the InChIKey of N-methyl-N-[(3-methylphenyl)methyl]-2-piperazin-1-ylethanamine?
The InChIKey is RXQPOIYIKJXVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-14-4-3-5-15(12-14)13-17(2)10-11-18-8-6-16-7-9-18/h3-5,12,16H,6-11,13H2,1-2H3.
What are the key properties of N-methyl-N-[(3-methylphenyl)methyl]-2-piperazin-1-ylethanamine?
N-methyl-N-[(3-methylphenyl)methyl]-2-piperazin-1-ylethanamine has a molecular weight of 247.39 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-methylphenyl)methyl]-2-piperazin-1-ylethanamine is sourced from PubChem (CID 55137660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).