1-[1-(2,3-dihydropyridin-4-yl)propyl]piperazine

C12H21N3 — CID 123300753

IUPAC1-[1-(2,3-dihydropyridin-4-yl)propyl]piperazine
SMILESCCC(C1=CC=NCC1)N1CCNCC1
InChIInChI=1S/C12H21N3/c1-2-12(11-3-5-13-6-4-11)15-9-7-14-8-10-15/h3,5,12,14H,2,4,6-10H2,1H3
InChIKeyAYAOQFLUHRMRIQ-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.07
Rot. Bonds3

About 1-[1-(2,3-dihydropyridin-4-yl)propyl]piperazine

1-[1-(2,3-dihydropyridin-4-yl)propyl]piperazine (PubChem CID 123300753) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-[1-(2,3-dihydropyridin-4-yl)propyl]piperazine.

Molecular Properties

Compound Name1-[1-(2,3-dihydropyridin-4-yl)propyl]piperazine
PubChem CID123300753
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name1-[1-(2,3-dihydropyridin-4-yl)propyl]piperazine
SMILESCCC(C1=CC=NCC1)N1CCNCC1
InChIInChI=1S/C12H21N3/c1-2-12(11-3-5-13-6-4-11)15-9-7-14-8-10-15/h3,5,12,14H,2,4,6-10H2,1H3
InChIKeyAYAOQFLUHRMRIQ-UHFFFAOYSA-N
XLogP1.07
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 172654060
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CID 53858741
1-[2-(2,3-Dihydropyridin-2-yl)ethyl]piperazine
CID 57000685
1,2,3,4,6,8a-Hexahydro-1,7-naphthyridine
CID 68748788
1-(2,3-Dihydropyridin-4-ylmethyl)piperazine
CID 69744774
N-[(2-methyl-2,3-dihydropyridin-4-yl)methyl]ethanamine
CID 89030889
(2S)-2-(2-methyl-2H-pyrrol-4-yl)piperidine
CID 89154206
3,4,6,7,8,8a-Hexahydro-1,7-naphthyridine
CID 91072702
3,5,6,7,8,8a-Hexahydro-1,7-naphthyridine
CID 91081122
2-Piperidin-2-yl-2,3-dihydropyridine
CID 91801827
4-[2-(2,3-Dihydropyridin-4-yl)ethyl]-1-methyl-1-propan-2-ylpiperazin-1-ium
CID 91807105
2-(2-Butan-2-ylidenepiperidin-3-ylidene)ethylidene-dimethylazanium
CID 123426179

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,3-dihydropyridin-4-yl)propyl]piperazine?
The IUPAC name of 1-[1-(2,3-dihydropyridin-4-yl)propyl]piperazine (CID 123300753) is 1-[1-(2,3-dihydropyridin-4-yl)propyl]piperazine.
What is the SMILES notation for 1-[1-(2,3-dihydropyridin-4-yl)propyl]piperazine?
The canonical SMILES for 1-[1-(2,3-dihydropyridin-4-yl)propyl]piperazine is CCC(C1=CC=NCC1)N1CCNCC1.
What is the InChIKey of 1-[1-(2,3-dihydropyridin-4-yl)propyl]piperazine?
The InChIKey is AYAOQFLUHRMRIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-2-12(11-3-5-13-6-4-11)15-9-7-14-8-10-15/h3,5,12,14H,2,4,6-10H2,1H3.
What are the key properties of 1-[1-(2,3-dihydropyridin-4-yl)propyl]piperazine?
1-[1-(2,3-dihydropyridin-4-yl)propyl]piperazine has a molecular weight of 207.32 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,3-dihydropyridin-4-yl)propyl]piperazine is sourced from PubChem (CID 123300753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).