1-(3,4-dihydropyridin-5-yl)piperazine

C9H15N3 — CID 57042329

IUPAC1-(3,4-dihydropyridin-5-yl)piperazine
SMILESC1=NC=C(N2CCNCC2)CC1
InChIInChI=1S/C9H15N3/c1-2-9(8-11-3-1)12-6-4-10-5-7-12/h3,8,10H,1-2,4-7H2
InChIKeyHWRGKMJIJZJAQX-UHFFFAOYSA-N
MW165.24 g/mol
LogP0.60
Rot. Bonds1

About 1-(3,4-dihydropyridin-5-yl)piperazine

1-(3,4-dihydropyridin-5-yl)piperazine (PubChem CID 57042329) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-(3,4-dihydropyridin-5-yl)piperazine.

Molecular Properties

Compound Name1-(3,4-dihydropyridin-5-yl)piperazine
PubChem CID57042329
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name1-(3,4-dihydropyridin-5-yl)piperazine
SMILESC1=NC=C(N2CCNCC2)CC1
InChIInChI=1S/C9H15N3/c1-2-9(8-11-3-1)12-6-4-10-5-7-12/h3,8,10H,1-2,4-7H2
InChIKeyHWRGKMJIJZJAQX-UHFFFAOYSA-N
XLogP0.60
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydropyridin-5-yl)piperazine?
The IUPAC name of 1-(3,4-dihydropyridin-5-yl)piperazine (CID 57042329) is 1-(3,4-dihydropyridin-5-yl)piperazine.
What is the SMILES notation for 1-(3,4-dihydropyridin-5-yl)piperazine?
The canonical SMILES for 1-(3,4-dihydropyridin-5-yl)piperazine is C1=NC=C(N2CCNCC2)CC1.
What is the InChIKey of 1-(3,4-dihydropyridin-5-yl)piperazine?
The InChIKey is HWRGKMJIJZJAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-2-9(8-11-3-1)12-6-4-10-5-7-12/h3,8,10H,1-2,4-7H2.
What are the key properties of 1-(3,4-dihydropyridin-5-yl)piperazine?
1-(3,4-dihydropyridin-5-yl)piperazine has a molecular weight of 165.24 g/mol, XLogP of 0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydropyridin-5-yl)piperazine is sourced from PubChem (CID 57042329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).