2-(3-methoxyphenyl)-2-(3-methyl-4-propylpiperazin-1-yl)ethanamine

C17H29N3O — CID 83978033

IUPAC2-(3-methoxyphenyl)-2-(3-methyl-4-propylpiperazin-1-yl)ethanamine
SMILESCCCN1CCN(C(CN)c2cccc(OC)c2)CC1C
InChIInChI=1S/C17H29N3O/c1-4-8-19-9-10-20(13-14(19)2)17(12-18)15-6-5-7-16(11-15)21-3/h5-7,11,14,17H,4,8-10,12-13,18H2,1-3H3
InChIKeyYDNUXPADULVSNN-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.11
Rot. Bonds6

About 2-(3-methoxyphenyl)-2-(3-methyl-4-propylpiperazin-1-yl)ethanamine

2-(3-methoxyphenyl)-2-(3-methyl-4-propylpiperazin-1-yl)ethanamine (PubChem CID 83978033) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-2-(3-methyl-4-propylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-2-(3-methyl-4-propylpiperazin-1-yl)ethanamine
PubChem CID83978033
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name2-(3-methoxyphenyl)-2-(3-methyl-4-propylpiperazin-1-yl)ethanamine
SMILESCCCN1CCN(C(CN)c2cccc(OC)c2)CC1C
InChIInChI=1S/C17H29N3O/c1-4-8-19-9-10-20(13-14(19)2)17(12-18)15-6-5-7-16(11-15)21-3/h5-7,11,14,17H,4,8-10,12-13,18H2,1-3H3
InChIKeyYDNUXPADULVSNN-UHFFFAOYSA-N
XLogP2.11
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dimethylpiperazin-1-yl)-2-(3-ethoxyphenyl)ethanamine
CID 63605407
2-(3-methoxyphenyl)-2-(3-methylpiperidin-1-yl)ethanamine
CID 16792621
2-(4-ethylpiperazin-1-yl)-2-(3-methoxyphenyl)ethanamine
CID 16782572
2-(4-ethyl-3-methylpiperazin-1-yl)-2-(3-fluorophenyl)ethanamine
CID 63605201
4-[2-amino-1-(3-methyl-4-propylpiperazin-1-yl)ethyl]-N,N-dimethylaniline
CID 83977871
2-(2-ethylmorpholin-4-yl)-2-(3-methoxyphenyl)ethanamine
CID 43562486
4-[2-amino-1-(3-methoxyphenyl)ethyl]-1-methylpiperazin-2-one
CID 64681749
2-(4-ethyl-3-methylpiperazin-1-yl)-2-(4-methoxy-3-methylphenyl)ethanamine
CID 63605596
2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-(3-methoxyphenyl)ethanamine
CID 16642768
[4-[2-amino-1-(3-methoxyphenyl)ethyl]morpholin-2-yl]methanol
CID 81206167
2-(3-methoxyphenyl)-2-(2,2,6,6-tetramethylmorpholin-4-yl)ethanamine
CID 102742931
2-(3-methoxypyrrolidin-1-yl)-2-[3-(trifluoromethoxy)phenyl]ethanamine
CID 107104696

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-2-(3-methyl-4-propylpiperazin-1-yl)ethanamine?
The IUPAC name of 2-(3-methoxyphenyl)-2-(3-methyl-4-propylpiperazin-1-yl)ethanamine (CID 83978033) is 2-(3-methoxyphenyl)-2-(3-methyl-4-propylpiperazin-1-yl)ethanamine.
What is the SMILES notation for 2-(3-methoxyphenyl)-2-(3-methyl-4-propylpiperazin-1-yl)ethanamine?
The canonical SMILES for 2-(3-methoxyphenyl)-2-(3-methyl-4-propylpiperazin-1-yl)ethanamine is CCCN1CCN(C(CN)c2cccc(OC)c2)CC1C.
What is the InChIKey of 2-(3-methoxyphenyl)-2-(3-methyl-4-propylpiperazin-1-yl)ethanamine?
The InChIKey is YDNUXPADULVSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-4-8-19-9-10-20(13-14(19)2)17(12-18)15-6-5-7-16(11-15)21-3/h5-7,11,14,17H,4,8-10,12-13,18H2,1-3H3.
What are the key properties of 2-(3-methoxyphenyl)-2-(3-methyl-4-propylpiperazin-1-yl)ethanamine?
2-(3-methoxyphenyl)-2-(3-methyl-4-propylpiperazin-1-yl)ethanamine has a molecular weight of 291.44 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-2-(3-methyl-4-propylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 83978033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).