(1R)-1-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanamine

C14H23N3O — CID 30814031

IUPAC(1R)-1-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanamine
SMILESCOc1ccc([C@@H](N)CN2CCN(C)CC2)cc1
InChIInChI=1S/C14H23N3O/c1-16-7-9-17(10-8-16)11-14(15)12-3-5-13(18-2)6-4-12/h3-6,14H,7-11,15H2,1-2H3/t14-/m0/s1
InChIKeyGIEDTLUQSFWSEZ-AWEZNQCLSA-N
MW249.36 g/mol
LogP0.94
Rot. Bonds4

About (1R)-1-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanamine

(1R)-1-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanamine (PubChem CID 30814031) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is (1R)-1-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanamine
PubChem CID30814031
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name(1R)-1-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanamine
SMILESCOc1ccc([C@@H](N)CN2CCN(C)CC2)cc1
InChIInChI=1S/C14H23N3O/c1-16-7-9-17(10-8-16)11-14(15)12-3-5-13(18-2)6-4-12/h3-6,14H,7-11,15H2,1-2H3/t14-/m0/s1
InChIKeyGIEDTLUQSFWSEZ-AWEZNQCLSA-N
XLogP0.94
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxyphenyl)-2-piperazin-1-ylethanamine
CID 82291368
2-[4-(cyclopropylmethyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanamine
CID 61441376
1-[2-chloro-2-(4-methoxyphenyl)ethyl]-4-methylpiperazine
CID 82214808
(1R)-1-[4-(2-methylbutoxy)phenyl]-2-(4-methylpiperazin-1-yl)ethanamine
CID 67430850
2-(4-methyl-1,4-diazepan-1-yl)-1-(4-methylphenyl)ethanamine
CID 43211438
1-[2-amino-2-(4-methoxyphenyl)ethyl]-N,N-diethylpyrrolidin-3-amine
CID 63169686
tert-butyl N-[(1S)-1-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]carbamate
CID 95617125
3-[2-amino-2-(4-methoxyphenyl)ethyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 64834711
2-(2,3-dihydroindol-1-yl)-1-(4-methoxyphenyl)ethanamine
CID 16780854
1-(4-methoxyphenyl)-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 63206777
2-(azepan-1-yl)-1-(4-ethoxyphenyl)ethanamine
CID 16643631
2-[4-(3-methoxyphenyl)piperazin-1-yl]-1-phenylethanamine
CID 174368771

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanamine?
The IUPAC name of (1R)-1-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanamine (CID 30814031) is (1R)-1-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanamine.
What is the SMILES notation for (1R)-1-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanamine?
The canonical SMILES for (1R)-1-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanamine is COc1ccc([C@@H](N)CN2CCN(C)CC2)cc1.
What is the InChIKey of (1R)-1-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanamine?
The InChIKey is GIEDTLUQSFWSEZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H23N3O/c1-16-7-9-17(10-8-16)11-14(15)12-3-5-13(18-2)6-4-12/h3-6,14H,7-11,15H2,1-2H3/t14-/m0/s1.
What are the key properties of (1R)-1-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanamine?
(1R)-1-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanamine has a molecular weight of 249.36 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 30814031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).