4-[4-(3-methoxyphenyl)piperazin-1-yl]-3,3-dimethylbutan-2-amine

C17H29N3O — CID 66453614

IUPAC4-[4-(3-methoxyphenyl)piperazin-1-yl]-3,3-dimethylbutan-2-amine
SMILESCOc1cccc(N2CCN(CC(C)(C)C(C)N)CC2)c1
InChIInChI=1S/C17H29N3O/c1-14(18)17(2,3)13-19-8-10-20(11-9-19)15-6-5-7-16(12-15)21-4/h5-7,12,14H,8-11,13,18H2,1-4H3
InChIKeyAZONDKQRRCTWOP-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.19
Rot. Bonds5

About 4-[4-(3-methoxyphenyl)piperazin-1-yl]-3,3-dimethylbutan-2-amine

4-[4-(3-methoxyphenyl)piperazin-1-yl]-3,3-dimethylbutan-2-amine (PubChem CID 66453614) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 4-[4-(3-methoxyphenyl)piperazin-1-yl]-3,3-dimethylbutan-2-amine.

Molecular Properties

Compound Name4-[4-(3-methoxyphenyl)piperazin-1-yl]-3,3-dimethylbutan-2-amine
PubChem CID66453614
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name4-[4-(3-methoxyphenyl)piperazin-1-yl]-3,3-dimethylbutan-2-amine
SMILESCOc1cccc(N2CCN(CC(C)(C)C(C)N)CC2)c1
InChIInChI=1S/C17H29N3O/c1-14(18)17(2,3)13-19-8-10-20(11-9-19)15-6-5-7-16(12-15)21-4/h5-7,12,14H,8-11,13,18H2,1-4H3
InChIKeyAZONDKQRRCTWOP-UHFFFAOYSA-N
XLogP2.19
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-2-amine
CID 28599641
3-[4-(3-methoxyphenyl)piperazin-1-yl]-2,2-dimethylpropan-1-ol
CID 62271087
1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylbutan-2-ol
CID 114495326
4-[4-(3-methoxyphenyl)piperazin-1-yl]-3,3-dimethylbutan-2-one
CID 66455314
1-[4-(3-methoxyphenyl)piperazin-1-yl]-4-methylpentan-2-amine
CID 43199829
3-[4-(3-methoxyphenyl)piperazin-1-yl]-2,2-dimethylpropanoic acid
CID 62272663
2-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-2-methylbutan-1-ol
CID 62271088
N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethyl]propan-2-amine
CID 60841668
2-[4-(3-methoxyphenyl)piperazin-1-yl]-1-phenylethanamine
CID 174368771
1-(2-chloroethyl)-4-(3-methoxyphenyl)piperazine;dihydrochloride
CID 11427409
6-[4-(3-methoxyphenyl)piperazin-1-yl]hexan-3-amine
CID 106799286
1-(3-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]piperazine
CID 22199424

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-methoxyphenyl)piperazin-1-yl]-3,3-dimethylbutan-2-amine?
The IUPAC name of 4-[4-(3-methoxyphenyl)piperazin-1-yl]-3,3-dimethylbutan-2-amine (CID 66453614) is 4-[4-(3-methoxyphenyl)piperazin-1-yl]-3,3-dimethylbutan-2-amine.
What is the SMILES notation for 4-[4-(3-methoxyphenyl)piperazin-1-yl]-3,3-dimethylbutan-2-amine?
The canonical SMILES for 4-[4-(3-methoxyphenyl)piperazin-1-yl]-3,3-dimethylbutan-2-amine is COc1cccc(N2CCN(CC(C)(C)C(C)N)CC2)c1.
What is the InChIKey of 4-[4-(3-methoxyphenyl)piperazin-1-yl]-3,3-dimethylbutan-2-amine?
The InChIKey is AZONDKQRRCTWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-14(18)17(2,3)13-19-8-10-20(11-9-19)15-6-5-7-16(12-15)21-4/h5-7,12,14H,8-11,13,18H2,1-4H3.
What are the key properties of 4-[4-(3-methoxyphenyl)piperazin-1-yl]-3,3-dimethylbutan-2-amine?
4-[4-(3-methoxyphenyl)piperazin-1-yl]-3,3-dimethylbutan-2-amine has a molecular weight of 291.44 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-methoxyphenyl)piperazin-1-yl]-3,3-dimethylbutan-2-amine is sourced from PubChem (CID 66453614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).