1-[4-(3-methoxypropyl)-1-methylpiperazin-2-yl]-N-methylmethanamine

C11H25N3O — CID 117026993

IUPAC1-[4-(3-methoxypropyl)-1-methylpiperazin-2-yl]-N-methylmethanamine
SMILESCNCC1CN(CCCOC)CCN1C
InChIInChI=1S/C11H25N3O/c1-12-9-11-10-14(5-4-8-15-3)7-6-13(11)2/h11-12H,4-10H2,1-3H3
InChIKeyZHUGPRNKSVBZAY-UHFFFAOYSA-N
MW215.34 g/mol
LogP-0.14
Rot. Bonds6

About 1-[4-(3-methoxypropyl)-1-methylpiperazin-2-yl]-N-methylmethanamine

1-[4-(3-methoxypropyl)-1-methylpiperazin-2-yl]-N-methylmethanamine (PubChem CID 117026993) has the molecular formula C11H25N3O and a molecular weight of 215.34 g/mol. Its IUPAC name is 1-[4-(3-methoxypropyl)-1-methylpiperazin-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(3-methoxypropyl)-1-methylpiperazin-2-yl]-N-methylmethanamine
PubChem CID117026993
Molecular FormulaC11H25N3O
Molecular Weight215.34 g/mol
Exact Mass215.20
IUPAC Name1-[4-(3-methoxypropyl)-1-methylpiperazin-2-yl]-N-methylmethanamine
SMILESCNCC1CN(CCCOC)CCN1C
InChIInChI=1S/C11H25N3O/c1-12-9-11-10-14(5-4-8-15-3)7-6-13(11)2/h11-12H,4-10H2,1-3H3
InChIKeyZHUGPRNKSVBZAY-UHFFFAOYSA-N
XLogP-0.14
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-4-(3-methoxypropyl)-1,2-dimethylpiperazine
CID 166658455
1-(3-methoxypropyl)-N-methylpyrrolidin-3-amine
CID 43315586
1-(1,4-dimethylpiperazin-2-yl)-N-methylmethanamine
CID 45099459
N-methyl-1-(1-methylaziridin-2-yl)methanamine
CID 117010139
1-[4-(3-methoxypropyl)morpholin-3-yl]-N-methylmethanamine
CID 83100394
4-(3-methoxypropyl)-N-methylmorpholin-2-amine;hydrochloride
CID 175032974
4-(3-methoxypropyl)piperazin-1-amine
CID 158082524
5-(3-ethyl-4-methylpiperazin-1-yl)-N-methylpentan-2-amine
CID 63611231
(2S)-4-butyl-2-ethyl-1-(2-methoxyethyl)piperazine
CID 100839425
1-[1-(3-methoxypropylsulfonyl)pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride
CID 119991078
2-[4-[2-(3-methoxypropoxy)ethyl]-1-methylpiperazin-2-yl]-1-methyl-4-[3-(4-methylpiperazin-1-yl)propyl]piperazine
CID 135179313
1-(3-methoxypropyl)pyrrolidine-3-carboxylic acid
CID 63032422

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methoxypropyl)-1-methylpiperazin-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-(3-methoxypropyl)-1-methylpiperazin-2-yl]-N-methylmethanamine (CID 117026993) is 1-[4-(3-methoxypropyl)-1-methylpiperazin-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(3-methoxypropyl)-1-methylpiperazin-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(3-methoxypropyl)-1-methylpiperazin-2-yl]-N-methylmethanamine is CNCC1CN(CCCOC)CCN1C.
What is the InChIKey of 1-[4-(3-methoxypropyl)-1-methylpiperazin-2-yl]-N-methylmethanamine?
The InChIKey is ZHUGPRNKSVBZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O/c1-12-9-11-10-14(5-4-8-15-3)7-6-13(11)2/h11-12H,4-10H2,1-3H3.
What are the key properties of 1-[4-(3-methoxypropyl)-1-methylpiperazin-2-yl]-N-methylmethanamine?
1-[4-(3-methoxypropyl)-1-methylpiperazin-2-yl]-N-methylmethanamine has a molecular weight of 215.34 g/mol, XLogP of -0.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methoxypropyl)-1-methylpiperazin-2-yl]-N-methylmethanamine is sourced from PubChem (CID 117026993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).