4-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]methyl]piperidine

C15H30N2O — CID 166004662

IUPAC4-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]methyl]piperidine
SMILESCC(C)(C)OCCN1CC(CC2CCNCC2)C1
InChIInChI=1S/C15H30N2O/c1-15(2,3)18-9-8-17-11-14(12-17)10-13-4-6-16-7-5-13/h13-14,16H,4-12H2,1-3H3
InChIKeyGQTPYPCTCQLXPE-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.12
Rot. Bonds5

About 4-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]methyl]piperidine

4-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]methyl]piperidine (PubChem CID 166004662) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 4-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]methyl]piperidine.

Molecular Properties

Compound Name4-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]methyl]piperidine
PubChem CID166004662
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name4-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]methyl]piperidine
SMILESCC(C)(C)OCCN1CC(CC2CCNCC2)C1
InChIInChI=1S/C15H30N2O/c1-15(2,3)18-9-8-17-11-14(12-17)10-13-4-6-16-7-5-13/h13-14,16H,4-12H2,1-3H3
InChIKeyGQTPYPCTCQLXPE-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]methyl]piperidine?
The IUPAC name of 4-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]methyl]piperidine (CID 166004662) is 4-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]methyl]piperidine.
What is the SMILES notation for 4-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]methyl]piperidine?
The canonical SMILES for 4-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]methyl]piperidine is CC(C)(C)OCCN1CC(CC2CCNCC2)C1.
What is the InChIKey of 4-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]methyl]piperidine?
The InChIKey is GQTPYPCTCQLXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-15(2,3)18-9-8-17-11-14(12-17)10-13-4-6-16-7-5-13/h13-14,16H,4-12H2,1-3H3.
What are the key properties of 4-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]methyl]piperidine?
4-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]methyl]piperidine has a molecular weight of 254.42 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]methyl]piperidine is sourced from PubChem (CID 166004662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).