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

C16H27N3O — CID 43199804

IUPAC1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-methylbutan-2-amine
SMILESCOc1ccccc1N1CCN(CC(N)C(C)C)CC1
InChIInChI=1S/C16H27N3O/c1-13(2)14(17)12-18-8-10-19(11-9-18)15-6-4-5-7-16(15)20-3/h4-7,13-14H,8-12,17H2,1-3H3
InChIKeyXSVPPMGJDASBBM-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.80
Rot. Bonds5

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

1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-methylbutan-2-amine (PubChem CID 43199804) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-methylbutan-2-amine.

Molecular Properties

Compound Name1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-methylbutan-2-amine
PubChem CID43199804
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-methylbutan-2-amine
SMILESCOc1ccccc1N1CCN(CC(N)C(C)C)CC1
InChIInChI=1S/C16H27N3O/c1-13(2)14(17)12-18-8-10-19(11-9-18)15-6-4-5-7-16(15)20-3/h4-7,13-14H,8-12,17H2,1-3H3
InChIKeyXSVPPMGJDASBBM-UHFFFAOYSA-N
XLogP1.80
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-fluoro-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 86339195
1-(chloromethyl)-4-(2-methoxyphenyl)piperazine
CID 19434771
3-[4-(2-methoxyphenyl)piperazin-1-yl]-N,2-dimethylpropan-1-amine
CID 62418788
(2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-4-methylsulfanylbutan-2-amine
CID 22689717
2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-pyridin-2-ylethanamine
CID 56986560
(2R)-1-(4-methoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-amine
CID 70121693
(2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 829697
(2S)-3-methyl-1-(4-phenylpiperazin-1-yl)butan-2-amine
CID 22689467
methyl 3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylpropanoate
CID 19433554
2-amino-1-(4-fluorophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 70470498
1-(dimethylamino)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 18714192
3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 10467259

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-methylbutan-2-amine?
The IUPAC name of 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-methylbutan-2-amine (CID 43199804) is 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-methylbutan-2-amine.
What is the SMILES notation for 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-methylbutan-2-amine?
The canonical SMILES for 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-methylbutan-2-amine is COc1ccccc1N1CCN(CC(N)C(C)C)CC1.
What is the InChIKey of 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-methylbutan-2-amine?
The InChIKey is XSVPPMGJDASBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-13(2)14(17)12-18-8-10-19(11-9-18)15-6-4-5-7-16(15)20-3/h4-7,13-14H,8-12,17H2,1-3H3.
What are the key properties of 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-methylbutan-2-amine?
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-methylbutan-2-amine has a molecular weight of 277.41 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-methylbutan-2-amine is sourced from PubChem (CID 43199804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).