4-[[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-4-yl]methyl]morpholine

C15H26N6O — CID 47053718

IUPAC4-[[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-4-yl]methyl]morpholine
SMILESC1CN(CC2CCN(Cc3nnnn3C3CC3)CC2)CCO1
InChIInChI=1S/C15H26N6O/c1-2-14(1)21-15(16-17-18-21)12-19-5-3-13(4-6-19)11-20-7-9-22-10-8-20/h13-14H,1-12H2
InChIKeyIQLZXOZYXYFMCP-UHFFFAOYSA-N
MW306.41 g/mol
LogP0.55
Rot. Bonds5

About 4-[[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-4-yl]methyl]morpholine

4-[[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-4-yl]methyl]morpholine (PubChem CID 47053718) has the molecular formula C15H26N6O and a molecular weight of 306.41 g/mol. Its IUPAC name is 4-[[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-4-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-4-yl]methyl]morpholine
PubChem CID47053718
Molecular FormulaC15H26N6O
Molecular Weight306.41 g/mol
Exact Mass306.22
IUPAC Name4-[[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-4-yl]methyl]morpholine
SMILESC1CN(CC2CCN(Cc3nnnn3C3CC3)CC2)CCO1
InChIInChI=1S/C15H26N6O/c1-2-14(1)21-15(16-17-18-21)12-19-5-3-13(4-6-19)11-20-7-9-22-10-8-20/h13-14H,1-12H2
InChIKeyIQLZXOZYXYFMCP-UHFFFAOYSA-N
XLogP0.55
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-4-yl]methyl]morpholine?
The IUPAC name of 4-[[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-4-yl]methyl]morpholine (CID 47053718) is 4-[[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-4-yl]methyl]morpholine.
What is the SMILES notation for 4-[[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-4-yl]methyl]morpholine?
The canonical SMILES for 4-[[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-4-yl]methyl]morpholine is C1CN(CC2CCN(Cc3nnnn3C3CC3)CC2)CCO1.
What is the InChIKey of 4-[[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-4-yl]methyl]morpholine?
The InChIKey is IQLZXOZYXYFMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N6O/c1-2-14(1)21-15(16-17-18-21)12-19-5-3-13(4-6-19)11-20-7-9-22-10-8-20/h13-14H,1-12H2.
What are the key properties of 4-[[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-4-yl]methyl]morpholine?
4-[[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-4-yl]methyl]morpholine has a molecular weight of 306.41 g/mol, XLogP of 0.55, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-4-yl]methyl]morpholine is sourced from PubChem (CID 47053718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).