1-[2-[3-methoxypropyl(methyl)amino]ethyl]piperidin-4-amine

C12H27N3O — CID 79327540

IUPAC1-[2-[3-methoxypropyl(methyl)amino]ethyl]piperidin-4-amine
SMILESCOCCCN(C)CCN1CCC(N)CC1
InChIInChI=1S/C12H27N3O/c1-14(6-3-11-16-2)9-10-15-7-4-12(13)5-8-15/h12H,3-11,13H2,1-2H3
InChIKeyRMMZEKZLEDECBL-UHFFFAOYSA-N
MW229.37 g/mol
LogP0.38
Rot. Bonds7

About 1-[2-[3-methoxypropyl(methyl)amino]ethyl]piperidin-4-amine

1-[2-[3-methoxypropyl(methyl)amino]ethyl]piperidin-4-amine (PubChem CID 79327540) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is 1-[2-[3-methoxypropyl(methyl)amino]ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[2-[3-methoxypropyl(methyl)amino]ethyl]piperidin-4-amine
PubChem CID79327540
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC Name1-[2-[3-methoxypropyl(methyl)amino]ethyl]piperidin-4-amine
SMILESCOCCCN(C)CCN1CCC(N)CC1
InChIInChI=1S/C12H27N3O/c1-14(6-3-11-16-2)9-10-15-7-4-12(13)5-8-15/h12H,3-11,13H2,1-2H3
InChIKeyRMMZEKZLEDECBL-UHFFFAOYSA-N
XLogP0.38
TPSA41.73 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 ≤ 50.38
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

1-(3-methoxypropyl)piperidin-4-amine;hydrochloride
CID 141311767
1-(6-methoxyhexyl)piperidin-4-amine
CID 18001881
1-[2-(3-methoxypropoxy)ethyl]piperidin-4-amine
CID 103177226
1-(2-methoxyethyl)piperidin-4-amine;hydrochloride
CID 146675245
N-(3-methoxypropyl)-N-methyl-3-piperidin-1-ylpropan-1-amine
CID 135181988
1-[2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethyl]piperidin-4-amine
CID 79327460
1-[2-[methyl(2-methylbutyl)amino]ethyl]piperidin-4-amine
CID 79328509
N-(3-methoxypropyl)-N,1-dimethylpiperidin-4-amine
CID 166948035
3-[[3-methoxypropyl(methyl)amino]methyl]cyclopentan-1-amine
CID 66008015
1-[1-(3-methoxypropyl)pyrrolidin-3-yl]piperidin-4-amine
CID 80552987
1-[2-(dibutylamino)ethyl]piperidin-4-amine
CID 54459156
2-[2-[3-methoxypropyl(methyl)amino]ethyl]cyclopentan-1-amine
CID 79565839

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-methoxypropyl(methyl)amino]ethyl]piperidin-4-amine?
The IUPAC name of 1-[2-[3-methoxypropyl(methyl)amino]ethyl]piperidin-4-amine (CID 79327540) is 1-[2-[3-methoxypropyl(methyl)amino]ethyl]piperidin-4-amine.
What is the SMILES notation for 1-[2-[3-methoxypropyl(methyl)amino]ethyl]piperidin-4-amine?
The canonical SMILES for 1-[2-[3-methoxypropyl(methyl)amino]ethyl]piperidin-4-amine is COCCCN(C)CCN1CCC(N)CC1.
What is the InChIKey of 1-[2-[3-methoxypropyl(methyl)amino]ethyl]piperidin-4-amine?
The InChIKey is RMMZEKZLEDECBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-14(6-3-11-16-2)9-10-15-7-4-12(13)5-8-15/h12H,3-11,13H2,1-2H3.
What are the key properties of 1-[2-[3-methoxypropyl(methyl)amino]ethyl]piperidin-4-amine?
1-[2-[3-methoxypropyl(methyl)amino]ethyl]piperidin-4-amine has a molecular weight of 229.37 g/mol, XLogP of 0.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-methoxypropyl(methyl)amino]ethyl]piperidin-4-amine is sourced from PubChem (CID 79327540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).