N,2,2-trimethyl-1-(oxan-4-yl)-3-piperazin-1-ylpropan-1-amine

C15H31N3O — CID 116960873

IUPACN,2,2-trimethyl-1-(oxan-4-yl)-3-piperazin-1-ylpropan-1-amine
SMILESCNC(C1CCOCC1)C(C)(C)CN1CCNCC1
InChIInChI=1S/C15H31N3O/c1-15(2,12-18-8-6-17-7-9-18)14(16-3)13-4-10-19-11-5-13/h13-14,16-17H,4-12H2,1-3H3
InChIKeyGDENXWDUXPBZJA-UHFFFAOYSA-N
MW269.43 g/mol
LogP0.93
Rot. Bonds5

About N,2,2-trimethyl-1-(oxan-4-yl)-3-piperazin-1-ylpropan-1-amine

N,2,2-trimethyl-1-(oxan-4-yl)-3-piperazin-1-ylpropan-1-amine (PubChem CID 116960873) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is N,2,2-trimethyl-1-(oxan-4-yl)-3-piperazin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN,2,2-trimethyl-1-(oxan-4-yl)-3-piperazin-1-ylpropan-1-amine
PubChem CID116960873
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC NameN,2,2-trimethyl-1-(oxan-4-yl)-3-piperazin-1-ylpropan-1-amine
SMILESCNC(C1CCOCC1)C(C)(C)CN1CCNCC1
InChIInChI=1S/C15H31N3O/c1-15(2,12-18-8-6-17-7-9-18)14(16-3)13-4-10-19-11-5-13/h13-14,16-17H,4-12H2,1-3H3
InChIKeyGDENXWDUXPBZJA-UHFFFAOYSA-N
XLogP0.93
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-1-(oxan-4-yl)-3-piperazin-1-ylpropan-1-amine?
The IUPAC name of N,2,2-trimethyl-1-(oxan-4-yl)-3-piperazin-1-ylpropan-1-amine (CID 116960873) is N,2,2-trimethyl-1-(oxan-4-yl)-3-piperazin-1-ylpropan-1-amine.
What is the SMILES notation for N,2,2-trimethyl-1-(oxan-4-yl)-3-piperazin-1-ylpropan-1-amine?
The canonical SMILES for N,2,2-trimethyl-1-(oxan-4-yl)-3-piperazin-1-ylpropan-1-amine is CNC(C1CCOCC1)C(C)(C)CN1CCNCC1.
What is the InChIKey of N,2,2-trimethyl-1-(oxan-4-yl)-3-piperazin-1-ylpropan-1-amine?
The InChIKey is GDENXWDUXPBZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-15(2,12-18-8-6-17-7-9-18)14(16-3)13-4-10-19-11-5-13/h13-14,16-17H,4-12H2,1-3H3.
What are the key properties of N,2,2-trimethyl-1-(oxan-4-yl)-3-piperazin-1-ylpropan-1-amine?
N,2,2-trimethyl-1-(oxan-4-yl)-3-piperazin-1-ylpropan-1-amine has a molecular weight of 269.43 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-1-(oxan-4-yl)-3-piperazin-1-ylpropan-1-amine is sourced from PubChem (CID 116960873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).