4-[[3-(2-methylbutan-2-yl)azetidin-1-yl]methyl]piperidine

C14H28N2 — CID 166490165

IUPAC4-[[3-(2-methylbutan-2-yl)azetidin-1-yl]methyl]piperidine
SMILESCCC(C)(C)C1CN(CC2CCNCC2)C1
InChIInChI=1S/C14H28N2/c1-4-14(2,3)13-10-16(11-13)9-12-5-7-15-8-6-12/h12-13,15H,4-11H2,1-3H3
InChIKeyCCTIYYROJPOIGT-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.35
Rot. Bonds4

About 4-[[3-(2-methylbutan-2-yl)azetidin-1-yl]methyl]piperidine

4-[[3-(2-methylbutan-2-yl)azetidin-1-yl]methyl]piperidine (PubChem CID 166490165) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 4-[[3-(2-methylbutan-2-yl)azetidin-1-yl]methyl]piperidine.

Molecular Properties

Compound Name4-[[3-(2-methylbutan-2-yl)azetidin-1-yl]methyl]piperidine
PubChem CID166490165
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name4-[[3-(2-methylbutan-2-yl)azetidin-1-yl]methyl]piperidine
SMILESCCC(C)(C)C1CN(CC2CCNCC2)C1
InChIInChI=1S/C14H28N2/c1-4-14(2,3)13-10-16(11-13)9-12-5-7-15-8-6-12/h12-13,15H,4-11H2,1-3H3
InChIKeyCCTIYYROJPOIGT-UHFFFAOYSA-N
XLogP2.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(2-methylbutan-2-yl)azetidin-1-yl]methyl]piperidine?
The IUPAC name of 4-[[3-(2-methylbutan-2-yl)azetidin-1-yl]methyl]piperidine (CID 166490165) is 4-[[3-(2-methylbutan-2-yl)azetidin-1-yl]methyl]piperidine.
What is the SMILES notation for 4-[[3-(2-methylbutan-2-yl)azetidin-1-yl]methyl]piperidine?
The canonical SMILES for 4-[[3-(2-methylbutan-2-yl)azetidin-1-yl]methyl]piperidine is CCC(C)(C)C1CN(CC2CCNCC2)C1.
What is the InChIKey of 4-[[3-(2-methylbutan-2-yl)azetidin-1-yl]methyl]piperidine?
The InChIKey is CCTIYYROJPOIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-4-14(2,3)13-10-16(11-13)9-12-5-7-15-8-6-12/h12-13,15H,4-11H2,1-3H3.
What are the key properties of 4-[[3-(2-methylbutan-2-yl)azetidin-1-yl]methyl]piperidine?
4-[[3-(2-methylbutan-2-yl)azetidin-1-yl]methyl]piperidine has a molecular weight of 224.39 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(2-methylbutan-2-yl)azetidin-1-yl]methyl]piperidine is sourced from PubChem (CID 166490165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).