4-(5-piperazin-1-ylhexan-2-yl)morpholine

C14H29N3O — CID 130368429

IUPAC4-(5-piperazin-1-ylhexan-2-yl)morpholine
SMILESCC(CCC(C)N1CCOCC1)N1CCNCC1
InChIInChI=1S/C14H29N3O/c1-13(16-7-5-15-6-8-16)3-4-14(2)17-9-11-18-12-10-17/h13-15H,3-12H2,1-2H3
InChIKeyBWHZOKWGUJWCCH-UHFFFAOYSA-N
MW255.41 g/mol
LogP0.78
Rot. Bonds5

About 4-(5-piperazin-1-ylhexan-2-yl)morpholine

4-(5-piperazin-1-ylhexan-2-yl)morpholine (PubChem CID 130368429) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 4-(5-piperazin-1-ylhexan-2-yl)morpholine.

Molecular Properties

Compound Name4-(5-piperazin-1-ylhexan-2-yl)morpholine
PubChem CID130368429
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name4-(5-piperazin-1-ylhexan-2-yl)morpholine
SMILESCC(CCC(C)N1CCOCC1)N1CCNCC1
InChIInChI=1S/C14H29N3O/c1-13(16-7-5-15-6-8-16)3-4-14(2)17-9-11-18-12-10-17/h13-15H,3-12H2,1-2H3
InChIKeyBWHZOKWGUJWCCH-UHFFFAOYSA-N
XLogP0.78
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-piperazin-1-ylhexan-2-yl)morpholine?
The IUPAC name of 4-(5-piperazin-1-ylhexan-2-yl)morpholine (CID 130368429) is 4-(5-piperazin-1-ylhexan-2-yl)morpholine.
What is the SMILES notation for 4-(5-piperazin-1-ylhexan-2-yl)morpholine?
The canonical SMILES for 4-(5-piperazin-1-ylhexan-2-yl)morpholine is CC(CCC(C)N1CCOCC1)N1CCNCC1.
What is the InChIKey of 4-(5-piperazin-1-ylhexan-2-yl)morpholine?
The InChIKey is BWHZOKWGUJWCCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-13(16-7-5-15-6-8-16)3-4-14(2)17-9-11-18-12-10-17/h13-15H,3-12H2,1-2H3.
What are the key properties of 4-(5-piperazin-1-ylhexan-2-yl)morpholine?
4-(5-piperazin-1-ylhexan-2-yl)morpholine has a molecular weight of 255.41 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-piperazin-1-ylhexan-2-yl)morpholine is sourced from PubChem (CID 130368429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).