1-(2,2-dimethylpropyl)piperidine;1-[2-(2-methoxyethoxy)ethoxy]-2,2-dimethylpropane

C20H43NO3 — CID 163709399

IUPAC1-(2,2-dimethylpropyl)piperidine;1-[2-(2-methoxyethoxy)ethoxy]-2,2-dimethylpropane
SMILESCC(C)(C)CN1CCCCC1.COCCOCCOCC(C)(C)C
InChIInChI=1S/C10H21N.C10H22O3/c1-10(2,3)9-11-7-5-4-6-8-11;1-10(2,3)9-13-8-7-12-6-5-11-4/h4-9H2,1-3H3;5-9H2,1-4H3
InChIKeyKHVXGDRDUHIJBD-UHFFFAOYSA-N
MW345.57 g/mol
LogP4.23
Rot. Bonds8

About 1-(2,2-dimethylpropyl)piperidine;1-[2-(2-methoxyethoxy)ethoxy]-2,2-dimethylpropane

1-(2,2-dimethylpropyl)piperidine;1-[2-(2-methoxyethoxy)ethoxy]-2,2-dimethylpropane (PubChem CID 163709399) has the molecular formula C20H43NO3 and a molecular weight of 345.57 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)piperidine;1-[2-(2-methoxyethoxy)ethoxy]-2,2-dimethylpropane.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)piperidine;1-[2-(2-methoxyethoxy)ethoxy]-2,2-dimethylpropane
PubChem CID163709399
Molecular FormulaC20H43NO3
Molecular Weight345.57 g/mol
Exact Mass345.32
IUPAC Name1-(2,2-dimethylpropyl)piperidine;1-[2-(2-methoxyethoxy)ethoxy]-2,2-dimethylpropane
SMILESCC(C)(C)CN1CCCCC1.COCCOCCOCC(C)(C)C
InChIInChI=1S/C10H21N.C10H22O3/c1-10(2,3)9-11-7-5-4-6-8-11;1-10(2,3)9-13-8-7-12-6-5-11-4/h4-9H2,1-3H3;5-9H2,1-4H3
InChIKeyKHVXGDRDUHIJBD-UHFFFAOYSA-N
XLogP4.23
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.57
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2,2-dimethylpropane
CID 166572083
1-(2,2-dimethylpropyl)azocane
CID 131007399
2,2-dimethylbutane;1-(2,2-dimethylpropyl)piperidine;1-ethoxy-2,2-dimethylpropane;methane
CID 158438314
1-(2,2-dimethylpropyl)piperidine;ethane
CID 162156975
1,3-bis(2,2-dimethylpropyl)-1,3-diazepane
CID 102582052
1-(2-methoxy-2-methylpropyl)piperidine
CID 23384646
1-(2-methoxyethyl)azocane
CID 47014834
1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidin-3-one
CID 104563220
N-[2-(2-methoxyethoxy)ethyl]-3-piperidin-1-ylpropan-1-amine
CID 114031951
1-[2-(3-methoxypropoxy)ethyl]piperidine
CID 134364578
4-[2-[2-[2-[4-(2,2-dimethylpropyl)piperazin-1-yl]ethoxy]ethoxy]ethoxy]butan-2-one
CID 70660595
ethane;1-[2-(4-methoxybutoxy)ethyl]piperidine
CID 142390245

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)piperidine;1-[2-(2-methoxyethoxy)ethoxy]-2,2-dimethylpropane?
The IUPAC name of 1-(2,2-dimethylpropyl)piperidine;1-[2-(2-methoxyethoxy)ethoxy]-2,2-dimethylpropane (CID 163709399) is 1-(2,2-dimethylpropyl)piperidine;1-[2-(2-methoxyethoxy)ethoxy]-2,2-dimethylpropane.
What is the SMILES notation for 1-(2,2-dimethylpropyl)piperidine;1-[2-(2-methoxyethoxy)ethoxy]-2,2-dimethylpropane?
The canonical SMILES for 1-(2,2-dimethylpropyl)piperidine;1-[2-(2-methoxyethoxy)ethoxy]-2,2-dimethylpropane is CC(C)(C)CN1CCCCC1.COCCOCCOCC(C)(C)C.
What is the InChIKey of 1-(2,2-dimethylpropyl)piperidine;1-[2-(2-methoxyethoxy)ethoxy]-2,2-dimethylpropane?
The InChIKey is KHVXGDRDUHIJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N.C10H22O3/c1-10(2,3)9-11-7-5-4-6-8-11;1-10(2,3)9-13-8-7-12-6-5-11-4/h4-9H2,1-3H3;5-9H2,1-4H3.
What are the key properties of 1-(2,2-dimethylpropyl)piperidine;1-[2-(2-methoxyethoxy)ethoxy]-2,2-dimethylpropane?
1-(2,2-dimethylpropyl)piperidine;1-[2-(2-methoxyethoxy)ethoxy]-2,2-dimethylpropane has a molecular weight of 345.57 g/mol, XLogP of 4.23, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)piperidine;1-[2-(2-methoxyethoxy)ethoxy]-2,2-dimethylpropane is sourced from PubChem (CID 163709399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).