2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-methylbutan-1-amine

C17H29N3O — CID 62261924

IUPAC2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-methylbutan-1-amine
SMILESCCC(C)(CN)CN1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C17H29N3O/c1-4-17(2,13-18)14-19-9-11-20(12-10-19)15-7-5-6-8-16(15)21-3/h5-8H,4,9-14,18H2,1-3H3
InChIKeyCTQMBEPWKAGSPW-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.19
Rot. Bonds6

About 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-methylbutan-1-amine

2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-methylbutan-1-amine (PubChem CID 62261924) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-methylbutan-1-amine.

Molecular Properties

Compound Name2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-methylbutan-1-amine
PubChem CID62261924
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-methylbutan-1-amine
SMILESCCC(C)(CN)CN1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C17H29N3O/c1-4-17(2,13-18)14-19-9-11-20(12-10-19)15-7-5-6-8-16(15)21-3/h5-8H,4,9-14,18H2,1-3H3
InChIKeyCTQMBEPWKAGSPW-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpropane-1,2-diol
CID 166286980
1-amino-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylbutan-2-ol
CID 64819623
3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 10467259
1-(chloromethyl)-4-(2-methoxyphenyl)piperazine
CID 19434771
2-benzyl-3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpropanamide
CID 67612939
(2R)-2-fluoro-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 86339195
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3,3-dimethylbutan-2-one
CID 4122027
1-(cyclopropylmethyl)-4-(2-methoxyphenyl)piperazine
CID 13035986
2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanol;dihydrochloride
CID 71671571
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-methylbutan-2-amine
CID 43199804
cyclohexanamine;1-ethyl-4-(2-methoxyphenyl)piperazine
CID 171492437
4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexan-1-amine
CID 68812752

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-methylbutan-1-amine?
The IUPAC name of 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-methylbutan-1-amine (CID 62261924) is 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-methylbutan-1-amine.
What is the SMILES notation for 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-methylbutan-1-amine?
The canonical SMILES for 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-methylbutan-1-amine is CCC(C)(CN)CN1CCN(c2ccccc2OC)CC1.
What is the InChIKey of 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-methylbutan-1-amine?
The InChIKey is CTQMBEPWKAGSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-4-17(2,13-18)14-19-9-11-20(12-10-19)15-7-5-6-8-16(15)21-3/h5-8H,4,9-14,18H2,1-3H3.
What are the key properties of 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-methylbutan-1-amine?
2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-methylbutan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-methylbutan-1-amine is sourced from PubChem (CID 62261924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).