N-methyl-1-[4-(2-propan-2-yloxyphenyl)piperazin-2-yl]methanamine

C15H25N3O — CID 117026970

IUPACN-methyl-1-[4-(2-propan-2-yloxyphenyl)piperazin-2-yl]methanamine
SMILESCNCC1CN(c2ccccc2OC(C)C)CCN1
InChIInChI=1S/C15H25N3O/c1-12(2)19-15-7-5-4-6-14(15)18-9-8-17-13(11-18)10-16-3/h4-7,12-13,16-17H,8-11H2,1-3H3
InChIKeyJHBCDLYPPAQFMF-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.47
Rot. Bonds5

About N-methyl-1-[4-(2-propan-2-yloxyphenyl)piperazin-2-yl]methanamine

N-methyl-1-[4-(2-propan-2-yloxyphenyl)piperazin-2-yl]methanamine (PubChem CID 117026970) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N-methyl-1-[4-(2-propan-2-yloxyphenyl)piperazin-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-(2-propan-2-yloxyphenyl)piperazin-2-yl]methanamine
PubChem CID117026970
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN-methyl-1-[4-(2-propan-2-yloxyphenyl)piperazin-2-yl]methanamine
SMILESCNCC1CN(c2ccccc2OC(C)C)CCN1
InChIInChI=1S/C15H25N3O/c1-12(2)19-15-7-5-4-6-14(15)18-9-8-17-13(11-18)10-16-3/h4-7,12-13,16-17H,8-11H2,1-3H3
InChIKeyJHBCDLYPPAQFMF-UHFFFAOYSA-N
XLogP1.47
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[3-(methylaminomethyl)piperazin-1-yl]benzoate
CID 117026977
1-[4-(2,3-dimethylphenyl)piperazin-2-yl]-N-methylmethanamine
CID 117026938
3-butan-2-yl-1-[2-(difluoromethoxy)phenyl]piperazine
CID 64925822
1-(2-propan-2-yloxyphenyl)azetidin-3-amine
CID 117002832
3-(2-methylpropyl)-1-(2-propan-2-ylphenyl)piperazine
CID 64923787
methyl 2-[3-(2-methylpropyl)piperazin-1-yl]benzoate
CID 75088513
1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 117008187
(3S)-3-ethyl-1-(2-methylsulfanylphenyl)piperazine
CID 58996610
3-ethyl-1-(2-fluorophenyl)piperazine
CID 64924612
N-cyclopropyl-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113077668
1-[2-(difluoromethylsulfanyl)phenyl]-3-ethylpiperazine
CID 64925477
N-[2-(4-fluorophenyl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113109204

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(2-propan-2-yloxyphenyl)piperazin-2-yl]methanamine?
The IUPAC name of N-methyl-1-[4-(2-propan-2-yloxyphenyl)piperazin-2-yl]methanamine (CID 117026970) is N-methyl-1-[4-(2-propan-2-yloxyphenyl)piperazin-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[4-(2-propan-2-yloxyphenyl)piperazin-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[4-(2-propan-2-yloxyphenyl)piperazin-2-yl]methanamine is CNCC1CN(c2ccccc2OC(C)C)CCN1.
What is the InChIKey of N-methyl-1-[4-(2-propan-2-yloxyphenyl)piperazin-2-yl]methanamine?
The InChIKey is JHBCDLYPPAQFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-12(2)19-15-7-5-4-6-14(15)18-9-8-17-13(11-18)10-16-3/h4-7,12-13,16-17H,8-11H2,1-3H3.
What are the key properties of N-methyl-1-[4-(2-propan-2-yloxyphenyl)piperazin-2-yl]methanamine?
N-methyl-1-[4-(2-propan-2-yloxyphenyl)piperazin-2-yl]methanamine has a molecular weight of 263.38 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(2-propan-2-yloxyphenyl)piperazin-2-yl]methanamine is sourced from PubChem (CID 117026970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).