3-piperazin-1-yl-N,N-dipropylpropan-1-amine

C13H29N3 — CID 2736107

IUPAC3-piperazin-1-yl-N,N-dipropylpropan-1-amine
SMILESCCCN(CCC)CCCN1CCNCC1
InChIInChI=1S/C13H29N3/c1-3-8-15(9-4-2)10-5-11-16-12-6-14-7-13-16/h14H,3-13H2,1-2H3
InChIKeyINURTONYJXVENS-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.40
Rot. Bonds8

About 3-piperazin-1-yl-N,N-dipropylpropan-1-amine

3-piperazin-1-yl-N,N-dipropylpropan-1-amine (PubChem CID 2736107) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is 3-piperazin-1-yl-N,N-dipropylpropan-1-amine.

Molecular Properties

Compound Name3-piperazin-1-yl-N,N-dipropylpropan-1-amine
PubChem CID2736107
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC Name3-piperazin-1-yl-N,N-dipropylpropan-1-amine
SMILESCCCN(CCC)CCCN1CCNCC1
InChIInChI=1S/C13H29N3/c1-3-8-15(9-4-2)10-5-11-16-12-6-14-7-13-16/h14H,3-13H2,1-2H3
InChIKeyINURTONYJXVENS-UHFFFAOYSA-N
XLogP1.40
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-piperazin-1-yl-N,N-dipropylpropan-1-amine?
The IUPAC name of 3-piperazin-1-yl-N,N-dipropylpropan-1-amine (CID 2736107) is 3-piperazin-1-yl-N,N-dipropylpropan-1-amine.
What is the SMILES notation for 3-piperazin-1-yl-N,N-dipropylpropan-1-amine?
The canonical SMILES for 3-piperazin-1-yl-N,N-dipropylpropan-1-amine is CCCN(CCC)CCCN1CCNCC1.
What is the InChIKey of 3-piperazin-1-yl-N,N-dipropylpropan-1-amine?
The InChIKey is INURTONYJXVENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-3-8-15(9-4-2)10-5-11-16-12-6-14-7-13-16/h14H,3-13H2,1-2H3.
What are the key properties of 3-piperazin-1-yl-N,N-dipropylpropan-1-amine?
3-piperazin-1-yl-N,N-dipropylpropan-1-amine has a molecular weight of 227.40 g/mol, XLogP of 1.40, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperazin-1-yl-N,N-dipropylpropan-1-amine is sourced from PubChem (CID 2736107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).