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

C15H23N3 — CID 140875365

IUPAC2-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclopropan-1-amine
SMILESCN1CCN(Cc2ccccc2C2CC2N)CC1
InChIInChI=1S/C15H23N3/c1-17-6-8-18(9-7-17)11-12-4-2-3-5-13(12)14-10-15(14)16/h2-5,14-15H,6-11,16H2,1H3
InChIKeyBNPCRAYYKAQUMG-UHFFFAOYSA-N
MW245.37 g/mol
LogP1.25
Rot. Bonds3

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

2-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclopropan-1-amine (PubChem CID 140875365) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclopropan-1-amine.

Molecular Properties

Compound Name2-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclopropan-1-amine
PubChem CID140875365
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name2-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclopropan-1-amine
SMILESCN1CCN(Cc2ccccc2C2CC2N)CC1
InChIInChI=1S/C15H23N3/c1-17-6-8-18(9-7-17)11-12-4-2-3-5-13(12)14-10-15(14)16/h2-5,14-15H,6-11,16H2,1H3
InChIKeyBNPCRAYYKAQUMG-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

2-[(4,7-dimethyl-1,4,7-triazonan-1-yl)methyl]aniline
CID 12973962
trans-(1R,2S)-2-(2-ethylphenyl)cyclopropan-1-amine
CID 94423440
2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclopropan-1-amine
CID 134540419
1-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]propan-2-amine
CID 117372131
2-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]propan-1-amine
CID 117372127
1-[[2-[(2R)-1-(4-bromophenyl)pyrrolidin-2-yl]phenyl]methyl]-4-methylpiperazine
CID 150493471
1-benzyl-4-methylpiperazine;methanamine
CID 174694163
3-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]propanal
CID 117368540
1-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclohexan-1-amine
CID 82026995
1-[(2-chlorophenyl)methyl]-3-methylimidazolidine
CID 129042674
[2-fluoro-3-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]methanamine
CID 107113059
4-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]morpholine
CID 167847529

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclopropan-1-amine?
The IUPAC name of 2-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclopropan-1-amine (CID 140875365) is 2-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclopropan-1-amine.
What is the SMILES notation for 2-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclopropan-1-amine?
The canonical SMILES for 2-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclopropan-1-amine is CN1CCN(Cc2ccccc2C2CC2N)CC1.
What is the InChIKey of 2-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclopropan-1-amine?
The InChIKey is BNPCRAYYKAQUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-17-6-8-18(9-7-17)11-12-4-2-3-5-13(12)14-10-15(14)16/h2-5,14-15H,6-11,16H2,1H3.
What are the key properties of 2-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclopropan-1-amine?
2-[2-[(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-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclopropan-1-amine is sourced from PubChem (CID 140875365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).