3-methoxy-N,2-dimethyl-N-(2-piperazin-1-ylethyl)propan-1-amine

C12H27N3O — CID 116502154

IUPAC3-methoxy-N,2-dimethyl-N-(2-piperazin-1-ylethyl)propan-1-amine
SMILESCOCC(C)CN(C)CCN1CCNCC1
InChIInChI=1S/C12H27N3O/c1-12(11-16-3)10-14(2)8-9-15-6-4-13-5-7-15/h12-13H,4-11H2,1-3H3
InChIKeyRKOPQAJTDIKKOP-UHFFFAOYSA-N
MW229.37 g/mol
LogP0.11
Rot. Bonds7

About 3-methoxy-N,2-dimethyl-N-(2-piperazin-1-ylethyl)propan-1-amine

3-methoxy-N,2-dimethyl-N-(2-piperazin-1-ylethyl)propan-1-amine (PubChem CID 116502154) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is 3-methoxy-N,2-dimethyl-N-(2-piperazin-1-ylethyl)propan-1-amine.

Molecular Properties

Compound Name3-methoxy-N,2-dimethyl-N-(2-piperazin-1-ylethyl)propan-1-amine
PubChem CID116502154
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC Name3-methoxy-N,2-dimethyl-N-(2-piperazin-1-ylethyl)propan-1-amine
SMILESCOCC(C)CN(C)CCN1CCNCC1
InChIInChI=1S/C12H27N3O/c1-12(11-16-3)10-14(2)8-9-15-6-4-13-5-7-15/h12-13H,4-11H2,1-3H3
InChIKeyRKOPQAJTDIKKOP-UHFFFAOYSA-N
XLogP0.11
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-[methyl(2-piperazin-1-ylethyl)amino]propanamide
CID 63265226
N-methyl-N-(2-piperazin-1-ylethyl)prop-2-en-1-amine
CID 63265346
N,N,N'-trimethyl-N'-(2-piperazin-1-ylethyl)propane-1,3-diamine
CID 63695224
N-ethyl-N-(2-piperazin-1-ylethyl)propan-2-amine
CID 60849674
N-methyl-N-(2-piperazin-1-ylethyl)nonan-1-amine
CID 63265554
N,N'-dimethyl-N'-[2-[methyl(2-piperazin-1-ylethyl)amino]ethyl]ethane-1,2-diamine
CID 126510399
3-methoxy-N-methyl-N-(2-piperazin-1-ylethyl)propane-1-sulfonamide
CID 63287773
1-[methyl(2-propan-2-yloxyethyl)amino]-3-piperazin-1-ylpropan-2-ol
CID 81055538
N-[(3,5-dimethoxyphenyl)methyl]-N-methyl-2-piperazin-1-ylethanamine
CID 63267446
methyl N-[2-[methyl(2-piperazin-1-ylethyl)amino]acetyl]carbamate
CID 55167527
4-methoxy-1-N-methyl-1-N-(2-pyrrolidin-1-ylethyl)butane-1,2-diamine
CID 63208714
N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-piperazin-1-ylethanamine
CID 63236887

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N,2-dimethyl-N-(2-piperazin-1-ylethyl)propan-1-amine?
The IUPAC name of 3-methoxy-N,2-dimethyl-N-(2-piperazin-1-ylethyl)propan-1-amine (CID 116502154) is 3-methoxy-N,2-dimethyl-N-(2-piperazin-1-ylethyl)propan-1-amine.
What is the SMILES notation for 3-methoxy-N,2-dimethyl-N-(2-piperazin-1-ylethyl)propan-1-amine?
The canonical SMILES for 3-methoxy-N,2-dimethyl-N-(2-piperazin-1-ylethyl)propan-1-amine is COCC(C)CN(C)CCN1CCNCC1.
What is the InChIKey of 3-methoxy-N,2-dimethyl-N-(2-piperazin-1-ylethyl)propan-1-amine?
The InChIKey is RKOPQAJTDIKKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-12(11-16-3)10-14(2)8-9-15-6-4-13-5-7-15/h12-13H,4-11H2,1-3H3.
What are the key properties of 3-methoxy-N,2-dimethyl-N-(2-piperazin-1-ylethyl)propan-1-amine?
3-methoxy-N,2-dimethyl-N-(2-piperazin-1-ylethyl)propan-1-amine has a molecular weight of 229.37 g/mol, XLogP of 0.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N,2-dimethyl-N-(2-piperazin-1-ylethyl)propan-1-amine is sourced from PubChem (CID 116502154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).