1-(2,2-dimethylpropyl)-4-(methoxymethyl)piperidine

C12H25NO — CID 21060395

IUPAC1-(2,2-dimethylpropyl)-4-(methoxymethyl)piperidine
SMILESCOCC1CCN(CC(C)(C)C)CC1
InChIInChI=1S/C12H25NO/c1-12(2,3)10-13-7-5-11(6-8-13)9-14-4/h11H,5-10H2,1-4H3
InChIKeyGJUHMTMBDPAXKP-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.39
Rot. Bonds3

About 1-(2,2-dimethylpropyl)-4-(methoxymethyl)piperidine

1-(2,2-dimethylpropyl)-4-(methoxymethyl)piperidine (PubChem CID 21060395) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-4-(methoxymethyl)piperidine.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-4-(methoxymethyl)piperidine
PubChem CID21060395
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name1-(2,2-dimethylpropyl)-4-(methoxymethyl)piperidine
SMILESCOCC1CCN(CC(C)(C)C)CC1
InChIInChI=1S/C12H25NO/c1-12(2,3)10-13-7-5-11(6-8-13)9-14-4/h11H,5-10H2,1-4H3
InChIKeyGJUHMTMBDPAXKP-UHFFFAOYSA-N
XLogP2.39
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-4-(methoxymethyl)piperidine?
The IUPAC name of 1-(2,2-dimethylpropyl)-4-(methoxymethyl)piperidine (CID 21060395) is 1-(2,2-dimethylpropyl)-4-(methoxymethyl)piperidine.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-4-(methoxymethyl)piperidine?
The canonical SMILES for 1-(2,2-dimethylpropyl)-4-(methoxymethyl)piperidine is COCC1CCN(CC(C)(C)C)CC1.
What is the InChIKey of 1-(2,2-dimethylpropyl)-4-(methoxymethyl)piperidine?
The InChIKey is GJUHMTMBDPAXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-12(2,3)10-13-7-5-11(6-8-13)9-14-4/h11H,5-10H2,1-4H3.
What are the key properties of 1-(2,2-dimethylpropyl)-4-(methoxymethyl)piperidine?
1-(2,2-dimethylpropyl)-4-(methoxymethyl)piperidine has a molecular weight of 199.34 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-4-(methoxymethyl)piperidine is sourced from PubChem (CID 21060395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).