4-(2,2-dimethylpropyl)-1-(3-methoxypropyl)piperidine

C14H29NO — CID 167414388

IUPAC4-(2,2-dimethylpropyl)-1-(3-methoxypropyl)piperidine
SMILESCOCCCN1CCC(CC(C)(C)C)CC1
InChIInChI=1S/C14H29NO/c1-14(2,3)12-13-6-9-15(10-7-13)8-5-11-16-4/h13H,5-12H2,1-4H3
InChIKeyCNMGBHJJCQFTGE-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.17
Rot. Bonds5

About 4-(2,2-dimethylpropyl)-1-(3-methoxypropyl)piperidine

4-(2,2-dimethylpropyl)-1-(3-methoxypropyl)piperidine (PubChem CID 167414388) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-1-(3-methoxypropyl)piperidine.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)-1-(3-methoxypropyl)piperidine
PubChem CID167414388
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name4-(2,2-dimethylpropyl)-1-(3-methoxypropyl)piperidine
SMILESCOCCCN1CCC(CC(C)(C)C)CC1
InChIInChI=1S/C14H29NO/c1-14(2,3)12-13-6-9-15(10-7-13)8-5-11-16-4/h13H,5-12H2,1-4H3
InChIKeyCNMGBHJJCQFTGE-UHFFFAOYSA-N
XLogP3.17
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropyl)-1-(3-methoxypropyl)piperidine?
The IUPAC name of 4-(2,2-dimethylpropyl)-1-(3-methoxypropyl)piperidine (CID 167414388) is 4-(2,2-dimethylpropyl)-1-(3-methoxypropyl)piperidine.
What is the SMILES notation for 4-(2,2-dimethylpropyl)-1-(3-methoxypropyl)piperidine?
The canonical SMILES for 4-(2,2-dimethylpropyl)-1-(3-methoxypropyl)piperidine is COCCCN1CCC(CC(C)(C)C)CC1.
What is the InChIKey of 4-(2,2-dimethylpropyl)-1-(3-methoxypropyl)piperidine?
The InChIKey is CNMGBHJJCQFTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-14(2,3)12-13-6-9-15(10-7-13)8-5-11-16-4/h13H,5-12H2,1-4H3.
What are the key properties of 4-(2,2-dimethylpropyl)-1-(3-methoxypropyl)piperidine?
4-(2,2-dimethylpropyl)-1-(3-methoxypropyl)piperidine has a molecular weight of 227.39 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropyl)-1-(3-methoxypropyl)piperidine is sourced from PubChem (CID 167414388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).