2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclopropan-1-amine

C15H23N3 — CID 134540419

IUPAC2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclopropan-1-amine
SMILESCN1CCN(Cc2cccc(C3CC3N)c2)CC1
InChIInChI=1S/C15H23N3/c1-17-5-7-18(8-6-17)11-12-3-2-4-13(9-12)14-10-15(14)16/h2-4,9,14-15H,5-8,10-11,16H2,1H3
InChIKeyFYMODRUSDXSDIC-UHFFFAOYSA-N
MW245.37 g/mol
LogP1.25
Rot. Bonds3

About 2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclopropan-1-amine

2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclopropan-1-amine (PubChem CID 134540419) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclopropan-1-amine.

Molecular Properties

Compound Name2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclopropan-1-amine
PubChem CID134540419
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclopropan-1-amine
SMILESCN1CCN(Cc2cccc(C3CC3N)c2)CC1
InChIInChI=1S/C15H23N3/c1-17-5-7-18(8-6-17)11-12-3-2-4-13(9-12)14-10-15(14)16/h2-4,9,14-15H,5-8,10-11,16H2,1H3
InChIKeyFYMODRUSDXSDIC-UHFFFAOYSA-N
XLogP1.25
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-4-methylpiperazine;methanamine
CID 174694163
2-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclopropan-1-amine
CID 140875365
2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanethioamide
CID 82135769
methanidyl-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]azanium
CID 58832495
1-methyl-4-[[3-(3-methylphenyl)phenyl]methyl]piperazine
CID 166864415
1-methyl-4-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperazine
CID 141348331
1-[(3-chlorophenyl)methyl]-4-methyl-1,4-diazepane
CID 764025
1-[(3-chlorophenyl)methyl]-4-methylpiperazine;oxalic acid
CID 45156065
[3-[(4-methylpiperazin-1-yl)methyl]phenoxy]boronic acid
CID 142785031
1-methyl-4-[(3-propoxyphenyl)methyl]piperazine
CID 70470634
N,N-dimethyl-3-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]propan-1-amine
CID 170866061
3-amino-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119902582

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclopropan-1-amine?
The IUPAC name of 2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclopropan-1-amine (CID 134540419) is 2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclopropan-1-amine.
What is the SMILES notation for 2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclopropan-1-amine?
The canonical SMILES for 2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclopropan-1-amine is CN1CCN(Cc2cccc(C3CC3N)c2)CC1.
What is the InChIKey of 2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclopropan-1-amine?
The InChIKey is FYMODRUSDXSDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-17-5-7-18(8-6-17)11-12-3-2-4-13(9-12)14-10-15(14)16/h2-4,9,14-15H,5-8,10-11,16H2,1H3.
What are the key properties of 2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclopropan-1-amine?
2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclopropan-1-amine has a molecular weight of 245.37 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclopropan-1-amine is sourced from PubChem (CID 134540419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).