N-methyl-1-(oxan-4-yl)-1-piperazin-1-ylmethanamine

C11H23N3O — CID 116954862

IUPACN-methyl-1-(oxan-4-yl)-1-piperazin-1-ylmethanamine
SMILESCNC(C1CCOCC1)N1CCNCC1
InChIInChI=1S/C11H23N3O/c1-12-11(10-2-8-15-9-3-10)14-6-4-13-5-7-14/h10-13H,2-9H2,1H3
InChIKeyIXTNEEQRGKEONX-UHFFFAOYSA-N
MW213.32 g/mol
LogP-0.14
Rot. Bonds3

About N-methyl-1-(oxan-4-yl)-1-piperazin-1-ylmethanamine

N-methyl-1-(oxan-4-yl)-1-piperazin-1-ylmethanamine (PubChem CID 116954862) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is N-methyl-1-(oxan-4-yl)-1-piperazin-1-ylmethanamine.

Molecular Properties

Compound NameN-methyl-1-(oxan-4-yl)-1-piperazin-1-ylmethanamine
PubChem CID116954862
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC NameN-methyl-1-(oxan-4-yl)-1-piperazin-1-ylmethanamine
SMILESCNC(C1CCOCC1)N1CCNCC1
InChIInChI=1S/C11H23N3O/c1-12-11(10-2-8-15-9-3-10)14-6-4-13-5-7-14/h10-13H,2-9H2,1H3
InChIKeyIXTNEEQRGKEONX-UHFFFAOYSA-N
XLogP-0.14
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(oxan-4-yl)-1-piperazin-1-ylmethanamine?
The IUPAC name of N-methyl-1-(oxan-4-yl)-1-piperazin-1-ylmethanamine (CID 116954862) is N-methyl-1-(oxan-4-yl)-1-piperazin-1-ylmethanamine.
What is the SMILES notation for N-methyl-1-(oxan-4-yl)-1-piperazin-1-ylmethanamine?
The canonical SMILES for N-methyl-1-(oxan-4-yl)-1-piperazin-1-ylmethanamine is CNC(C1CCOCC1)N1CCNCC1.
What is the InChIKey of N-methyl-1-(oxan-4-yl)-1-piperazin-1-ylmethanamine?
The InChIKey is IXTNEEQRGKEONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-12-11(10-2-8-15-9-3-10)14-6-4-13-5-7-14/h10-13H,2-9H2,1H3.
What are the key properties of N-methyl-1-(oxan-4-yl)-1-piperazin-1-ylmethanamine?
N-methyl-1-(oxan-4-yl)-1-piperazin-1-ylmethanamine has a molecular weight of 213.32 g/mol, XLogP of -0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(oxan-4-yl)-1-piperazin-1-ylmethanamine is sourced from PubChem (CID 116954862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).