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

C12H26N2O — CID 106455019

IUPAC4-methyl-1-[2-(2-methylpropoxy)ethyl]piperidin-3-amine
SMILESCC(C)COCCN1CCC(C)C(N)C1
InChIInChI=1S/C12H26N2O/c1-10(2)9-15-7-6-14-5-4-11(3)12(13)8-14/h10-12H,4-9,13H2,1-3H3
InChIKeyZZVXSSIVMRUEIH-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.33
Rot. Bonds5

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

4-methyl-1-[2-(2-methylpropoxy)ethyl]piperidin-3-amine (PubChem CID 106455019) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 4-methyl-1-[2-(2-methylpropoxy)ethyl]piperidin-3-amine.

Molecular Properties

Compound Name4-methyl-1-[2-(2-methylpropoxy)ethyl]piperidin-3-amine
PubChem CID106455019
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name4-methyl-1-[2-(2-methylpropoxy)ethyl]piperidin-3-amine
SMILESCC(C)COCCN1CCC(C)C(N)C1
InChIInChI=1S/C12H26N2O/c1-10(2)9-15-7-6-14-5-4-11(3)12(13)8-14/h10-12H,4-9,13H2,1-3H3
InChIKeyZZVXSSIVMRUEIH-UHFFFAOYSA-N
XLogP1.33
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-4-methyl-1-[2-(2-methylpropoxy)ethyl]piperidine
CID 106457919
4-chloro-3-methyl-1-[2-(2-methylpropoxy)ethyl]piperidine
CID 106457882
1-(3-ethoxypropyl)-4-methylpiperidin-3-amine
CID 65180830
1-[1-[2-(2-methylpropoxy)ethyl]pyrrolidin-3-yl]piperidin-4-amine
CID 106455092
4-bromo-1-[2-(2-methylpropoxy)ethyl]piperidine
CID 106457766
4-(1-bromoethyl)-1-[2-(2-methylpropoxy)ethyl]piperidine
CID 106838360
4-methyl-1-[2-(3-methylbutoxy)ethyl]piperidin-3-ol
CID 103898055
(3S)-3-(methoxymethyl)-1-[2-(2-methylpropoxy)ethyl]piperidine
CID 100627852
2-[4-[2-(2-methylpropoxy)ethyl]piperazin-1-yl]ethanamine
CID 106450826
1-(3-amino-4-methylpiperidin-1-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106992591
6-methyl-1-[2-(2-methylpropoxy)ethyl]piperidin-3-amine
CID 106455836
4-(2-bromoethoxy)-1-[2-(2-methylpropoxy)ethyl]piperidine
CID 106457800

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[2-(2-methylpropoxy)ethyl]piperidin-3-amine?
The IUPAC name of 4-methyl-1-[2-(2-methylpropoxy)ethyl]piperidin-3-amine (CID 106455019) is 4-methyl-1-[2-(2-methylpropoxy)ethyl]piperidin-3-amine.
What is the SMILES notation for 4-methyl-1-[2-(2-methylpropoxy)ethyl]piperidin-3-amine?
The canonical SMILES for 4-methyl-1-[2-(2-methylpropoxy)ethyl]piperidin-3-amine is CC(C)COCCN1CCC(C)C(N)C1.
What is the InChIKey of 4-methyl-1-[2-(2-methylpropoxy)ethyl]piperidin-3-amine?
The InChIKey is ZZVXSSIVMRUEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-10(2)9-15-7-6-14-5-4-11(3)12(13)8-14/h10-12H,4-9,13H2,1-3H3.
What are the key properties of 4-methyl-1-[2-(2-methylpropoxy)ethyl]piperidin-3-amine?
4-methyl-1-[2-(2-methylpropoxy)ethyl]piperidin-3-amine has a molecular weight of 214.35 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[2-(2-methylpropoxy)ethyl]piperidin-3-amine is sourced from PubChem (CID 106455019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).