[3-(2-aminoethoxy)phenyl]-(4-methylpiperazin-1-yl)methanone

C14H21N3O2 — CID 28761599

IUPAC[3-(2-aminoethoxy)phenyl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cccc(OCCN)c2)CC1
InChIInChI=1S/C14H21N3O2/c1-16-6-8-17(9-7-16)14(18)12-3-2-4-13(11-12)19-10-5-15/h2-4,11H,5-10,15H2,1H3
InChIKeyDQVCGTDIGLXRNZ-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.41
Rot. Bonds4

About [3-(2-aminoethoxy)phenyl]-(4-methylpiperazin-1-yl)methanone

[3-(2-aminoethoxy)phenyl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 28761599) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is [3-(2-aminoethoxy)phenyl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[3-(2-aminoethoxy)phenyl]-(4-methylpiperazin-1-yl)methanone
PubChem CID28761599
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name[3-(2-aminoethoxy)phenyl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cccc(OCCN)c2)CC1
InChIInChI=1S/C14H21N3O2/c1-16-6-8-17(9-7-16)14(18)12-3-2-4-13(11-12)19-10-5-15/h2-4,11H,5-10,15H2,1H3
InChIKeyDQVCGTDIGLXRNZ-UHFFFAOYSA-N
XLogP0.41
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[3-(2-phenoxyethoxy)benzoyl]piperazin-1-yl]-[3-(2-phenoxyethoxy)phenyl]methanone
CID 4955546
[3-(2-aminoethoxy)phenyl]-[(3R)-3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methanone
CID 126428666
[4-(3-ethoxybenzoyl)piperazin-1-yl]-(3-ethoxyphenyl)methanone
CID 4958094
[3-(4-methylpiperazine-1-carbonyl)phenyl] acetate
CID 17308715
[3-(2-aminoethoxy)phenyl]-[4-(4-methylphenyl)sulfanylpiperidin-1-yl]methanone
CID 119059044
[4-(3-aminopropyl)piperazin-1-yl]-[3-(2-methylpropoxy)phenyl]methanone
CID 54852636
[4-(3-aminopropyl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 28705903
[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 7964223
(4-phenylpiperazin-1-yl)-(3-propoxyphenyl)methanone
CID 17175869
(3-aminophenyl)-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 19842351
[3-(2-aminoethoxy)phenyl]-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
CID 110156835
[3-(aminomethyl)phenyl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 28744968

Frequently Asked Questions

What is the IUPAC name of [3-(2-aminoethoxy)phenyl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [3-(2-aminoethoxy)phenyl]-(4-methylpiperazin-1-yl)methanone (CID 28761599) is [3-(2-aminoethoxy)phenyl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [3-(2-aminoethoxy)phenyl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [3-(2-aminoethoxy)phenyl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2cccc(OCCN)c2)CC1.
What is the InChIKey of [3-(2-aminoethoxy)phenyl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is DQVCGTDIGLXRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-16-6-8-17(9-7-16)14(18)12-3-2-4-13(11-12)19-10-5-15/h2-4,11H,5-10,15H2,1H3.
What are the key properties of [3-(2-aminoethoxy)phenyl]-(4-methylpiperazin-1-yl)methanone?
[3-(2-aminoethoxy)phenyl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 263.34 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-aminoethoxy)phenyl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 28761599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).