6-[4-(3-methoxyphenyl)piperazin-1-yl]hexan-3-amine

C17H29N3O — CID 106799286

IUPAC6-[4-(3-methoxyphenyl)piperazin-1-yl]hexan-3-amine
SMILESCCC(N)CCCN1CCN(c2cccc(OC)c2)CC1
InChIInChI=1S/C17H29N3O/c1-3-15(18)6-5-9-19-10-12-20(13-11-19)16-7-4-8-17(14-16)21-2/h4,7-8,14-15H,3,5-6,9-13,18H2,1-2H3
InChIKeyWBTZRECRUHULBC-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.33
Rot. Bonds7

About 6-[4-(3-methoxyphenyl)piperazin-1-yl]hexan-3-amine

6-[4-(3-methoxyphenyl)piperazin-1-yl]hexan-3-amine (PubChem CID 106799286) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 6-[4-(3-methoxyphenyl)piperazin-1-yl]hexan-3-amine.

Molecular Properties

Compound Name6-[4-(3-methoxyphenyl)piperazin-1-yl]hexan-3-amine
PubChem CID106799286
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name6-[4-(3-methoxyphenyl)piperazin-1-yl]hexan-3-amine
SMILESCCC(N)CCCN1CCN(c2cccc(OC)c2)CC1
InChIInChI=1S/C17H29N3O/c1-3-15(18)6-5-9-19-10-12-20(13-11-19)16-7-4-8-17(14-16)21-2/h4,7-8,14-15H,3,5-6,9-13,18H2,1-2H3
InChIKeyWBTZRECRUHULBC-UHFFFAOYSA-N
XLogP2.33
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-chlorohexyl)-4-(3-methoxyphenyl)piperazine
CID 62229677
(2S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-2-amine
CID 28599641
2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethoxy]ethanamine
CID 79479255
1-[4-(3-methoxyphenyl)piperazin-1-yl]-4-methylpentan-2-amine
CID 43199829
1-(2-chloroethyl)-4-(3-methoxyphenyl)piperazine;dihydrochloride
CID 11427409
2-[6-[4-(3-methoxyphenyl)piperazin-1-yl]hexyl]isoindole-1,3-dione
CID 164621183
1-[3-(3-methoxyphenoxy)propyl]-4-phenylpiperazine
CID 3050368
N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethyl]propan-2-amine
CID 60841668
4-[4-(3-methoxyphenyl)piperazin-1-yl]-3,3-dimethylbutan-2-amine
CID 66453614
2-[4-(3-methoxyphenyl)piperazin-1-yl]-1-phenylethanamine
CID 174368771
1-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]piperidine-2,6-diol
CID 141019589
6-[4-(4-methoxyphenyl)piperazin-1-yl]hexan-3-ol
CID 106802258

Frequently Asked Questions

What is the IUPAC name of 6-[4-(3-methoxyphenyl)piperazin-1-yl]hexan-3-amine?
The IUPAC name of 6-[4-(3-methoxyphenyl)piperazin-1-yl]hexan-3-amine (CID 106799286) is 6-[4-(3-methoxyphenyl)piperazin-1-yl]hexan-3-amine.
What is the SMILES notation for 6-[4-(3-methoxyphenyl)piperazin-1-yl]hexan-3-amine?
The canonical SMILES for 6-[4-(3-methoxyphenyl)piperazin-1-yl]hexan-3-amine is CCC(N)CCCN1CCN(c2cccc(OC)c2)CC1.
What is the InChIKey of 6-[4-(3-methoxyphenyl)piperazin-1-yl]hexan-3-amine?
The InChIKey is WBTZRECRUHULBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-3-15(18)6-5-9-19-10-12-20(13-11-19)16-7-4-8-17(14-16)21-2/h4,7-8,14-15H,3,5-6,9-13,18H2,1-2H3.
What are the key properties of 6-[4-(3-methoxyphenyl)piperazin-1-yl]hexan-3-amine?
6-[4-(3-methoxyphenyl)piperazin-1-yl]hexan-3-amine has a molecular weight of 291.44 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3-methoxyphenyl)piperazin-1-yl]hexan-3-amine is sourced from PubChem (CID 106799286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).