N-[[2-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine

C17H27N3O — CID 84746066

IUPACN-[[2-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine
SMILESCOc1cc(CN2CCN(C)CC2)ccc1CNC1CC1
InChIInChI=1S/C17H27N3O/c1-19-7-9-20(10-8-19)13-14-3-4-15(17(11-14)21-2)12-18-16-5-6-16/h3-4,11,16,18H,5-10,12-13H2,1-2H3
InChIKeyBCOMLNSTIHGACD-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.69
Rot. Bonds6

About N-[[2-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine

N-[[2-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine (PubChem CID 84746066) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[[2-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine
PubChem CID84746066
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-[[2-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine
SMILESCOc1cc(CN2CCN(C)CC2)ccc1CNC1CC1
InChIInChI=1S/C17H27N3O/c1-19-7-9-20(10-8-19)13-14-3-4-15(17(11-14)21-2)12-18-16-5-6-16/h3-4,11,16,18H,5-10,12-13H2,1-2H3
InChIKeyBCOMLNSTIHGACD-UHFFFAOYSA-N
XLogP1.69
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(1,4-diazepan-1-ylmethyl)-2-methoxyphenyl]methyl]cyclopropanamine
CID 84746317
[2-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanamine
CID 84754851
N-[(2,4-dimethoxyphenyl)methyl]-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanamine
CID 51119412
N-[[4-fluoro-3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 107453756
N-[[2-methoxy-4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine
CID 84745879
1-[[4-[4-(cyclopentyloxymethyl)phenyl]-2-methoxyphenyl]methyl]-4-methylpiperazine
CID 126671889
N-[[4-[(4-propylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 62423801
[4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-methoxyphenyl]methanamine
CID 106785322
N-[[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 62420771
N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-methylpiperidin-4-amine
CID 43215907
1-butyl-N-[(2,4-dimethoxyphenyl)methyl]piperidin-4-amine
CID 119127125
1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-methylpiperazine
CID 782865

Frequently Asked Questions

What is the IUPAC name of N-[[2-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine (CID 84746066) is N-[[2-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine is COc1cc(CN2CCN(C)CC2)ccc1CNC1CC1.
What is the InChIKey of N-[[2-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine?
The InChIKey is BCOMLNSTIHGACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-19-7-9-20(10-8-19)13-14-3-4-15(17(11-14)21-2)12-18-16-5-6-16/h3-4,11,16,18H,5-10,12-13H2,1-2H3.
What are the key properties of N-[[2-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine?
N-[[2-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine has a molecular weight of 289.42 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 84746066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).