1-[2-(2-methylbutoxy)ethyl]piperidin-4-amine

C12H26N2O — CID 166169205

IUPAC1-[2-(2-methylbutoxy)ethyl]piperidin-4-amine
SMILESCCC(C)COCCN1CCC(N)CC1
InChIInChI=1S/C12H26N2O/c1-3-11(2)10-15-9-8-14-6-4-12(13)5-7-14/h11-12H,3-10,13H2,1-2H3
InChIKeyQMDIRXCQHBIAGX-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.47
Rot. Bonds6

About 1-[2-(2-methylbutoxy)ethyl]piperidin-4-amine

1-[2-(2-methylbutoxy)ethyl]piperidin-4-amine (PubChem CID 166169205) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-[2-(2-methylbutoxy)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[2-(2-methylbutoxy)ethyl]piperidin-4-amine
PubChem CID166169205
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name1-[2-(2-methylbutoxy)ethyl]piperidin-4-amine
SMILESCCC(C)COCCN1CCC(N)CC1
InChIInChI=1S/C12H26N2O/c1-3-11(2)10-15-9-8-14-6-4-12(13)5-7-14/h11-12H,3-10,13H2,1-2H3
InChIKeyQMDIRXCQHBIAGX-UHFFFAOYSA-N
XLogP1.47
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[2-(2-methylbutoxy)ethyl]piperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[2-(2-methylbutylamino)ethoxy]ethyl]piperidin-4-amine
CID 169213807
1-[2-[2-[2-[2-(3-methylpentylamino)ethoxy]ethoxy]ethoxy]ethyl]piperidin-4-amine
CID 169214943
1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]piperidin-4-amine
CID 104560351
1-(3-ethoxypropyl)piperidin-4-amine
CID 18001948
1-[2-(2-aminoethoxy)ethyl]piperidin-4-amine;ethane
CID 156883236
1-[1-[2-(2-methylpropoxy)ethyl]pyrrolidin-3-yl]piperidin-4-amine
CID 106455092
1-[2-(3-methoxypropoxy)ethyl]piperidin-4-amine
CID 103177226
N-[2-[2-(4-aminopiperidin-1-yl)ethoxy]ethyl]-2-methylbutanamide;ethane;molecular hydrogen
CID 171539223
1-(5-propoxypentyl)piperidin-4-amine
CID 18002201
1-[2-[methyl(2-methylbutyl)amino]ethyl]piperidin-4-amine
CID 79328509
1-(2-methoxyethyl)piperidin-4-amine;hydrochloride
CID 146675245
4-(1-bromoethyl)-1-[2-(2-methylpropoxy)ethyl]piperidine
CID 106838360

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylbutoxy)ethyl]piperidin-4-amine?
The IUPAC name of 1-[2-(2-methylbutoxy)ethyl]piperidin-4-amine (CID 166169205) is 1-[2-(2-methylbutoxy)ethyl]piperidin-4-amine.
What is the SMILES notation for 1-[2-(2-methylbutoxy)ethyl]piperidin-4-amine?
The canonical SMILES for 1-[2-(2-methylbutoxy)ethyl]piperidin-4-amine is CCC(C)COCCN1CCC(N)CC1.
What is the InChIKey of 1-[2-(2-methylbutoxy)ethyl]piperidin-4-amine?
The InChIKey is QMDIRXCQHBIAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-3-11(2)10-15-9-8-14-6-4-12(13)5-7-14/h11-12H,3-10,13H2,1-2H3.
What are the key properties of 1-[2-(2-methylbutoxy)ethyl]piperidin-4-amine?
1-[2-(2-methylbutoxy)ethyl]piperidin-4-amine has a molecular weight of 214.35 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylbutoxy)ethyl]piperidin-4-amine is sourced from PubChem (CID 166169205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).