4,4-dimethyl-1-[(3-methyloxetan-3-yl)methyl]piperidine

C12H23NO — CID 122667567

IUPAC4,4-dimethyl-1-[(3-methyloxetan-3-yl)methyl]piperidine
SMILESCC1(C)CCN(CC2(C)COC2)CC1
InChIInChI=1S/C12H23NO/c1-11(2)4-6-13(7-5-11)8-12(3)9-14-10-12/h4-10H2,1-3H3
InChIKeyZIQQGCXCAFVTBF-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.14
Rot. Bonds2

About 4,4-dimethyl-1-[(3-methyloxetan-3-yl)methyl]piperidine

4,4-dimethyl-1-[(3-methyloxetan-3-yl)methyl]piperidine (PubChem CID 122667567) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 4,4-dimethyl-1-[(3-methyloxetan-3-yl)methyl]piperidine.

Molecular Properties

Compound Name4,4-dimethyl-1-[(3-methyloxetan-3-yl)methyl]piperidine
PubChem CID122667567
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name4,4-dimethyl-1-[(3-methyloxetan-3-yl)methyl]piperidine
SMILESCC1(C)CCN(CC2(C)COC2)CC1
InChIInChI=1S/C12H23NO/c1-11(2)4-6-13(7-5-11)8-12(3)9-14-10-12/h4-10H2,1-3H3
InChIKeyZIQQGCXCAFVTBF-UHFFFAOYSA-N
XLogP2.14
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-[(3-methyloxetan-3-yl)methyl]piperidine?
The IUPAC name of 4,4-dimethyl-1-[(3-methyloxetan-3-yl)methyl]piperidine (CID 122667567) is 4,4-dimethyl-1-[(3-methyloxetan-3-yl)methyl]piperidine.
What is the SMILES notation for 4,4-dimethyl-1-[(3-methyloxetan-3-yl)methyl]piperidine?
The canonical SMILES for 4,4-dimethyl-1-[(3-methyloxetan-3-yl)methyl]piperidine is CC1(C)CCN(CC2(C)COC2)CC1.
What is the InChIKey of 4,4-dimethyl-1-[(3-methyloxetan-3-yl)methyl]piperidine?
The InChIKey is ZIQQGCXCAFVTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-11(2)4-6-13(7-5-11)8-12(3)9-14-10-12/h4-10H2,1-3H3.
What are the key properties of 4,4-dimethyl-1-[(3-methyloxetan-3-yl)methyl]piperidine?
4,4-dimethyl-1-[(3-methyloxetan-3-yl)methyl]piperidine has a molecular weight of 197.32 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-[(3-methyloxetan-3-yl)methyl]piperidine is sourced from PubChem (CID 122667567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).