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

C13H23N3 — CID 123742591

IUPAC1-[1-(2,3-dihydropyridin-2-yl)-2-methylpropyl]piperazine
SMILESCC(C)C(C1CC=CC=N1)N1CCNCC1
InChIInChI=1S/C13H23N3/c1-11(2)13(12-5-3-4-6-15-12)16-9-7-14-8-10-16/h3-4,6,11-14H,5,7-10H2,1-2H3
InChIKeyOSWLBVQSFFVYQB-UHFFFAOYSA-N
MW221.35 g/mol
LogP1.32
Rot. Bonds3

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

1-[1-(2,3-dihydropyridin-2-yl)-2-methylpropyl]piperazine (PubChem CID 123742591) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 1-[1-(2,3-dihydropyridin-2-yl)-2-methylpropyl]piperazine.

Molecular Properties

Compound Name1-[1-(2,3-dihydropyridin-2-yl)-2-methylpropyl]piperazine
PubChem CID123742591
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name1-[1-(2,3-dihydropyridin-2-yl)-2-methylpropyl]piperazine
SMILESCC(C)C(C1CC=CC=N1)N1CCNCC1
InChIInChI=1S/C13H23N3/c1-11(2)13(12-5-3-4-6-15-12)16-9-7-14-8-10-16/h3-4,6,11-14H,5,7-10H2,1-2H3
InChIKeyOSWLBVQSFFVYQB-UHFFFAOYSA-N
XLogP1.32
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-Fluoro-2-methyl-2,3-dihydropyridin-3-yl)methyl]piperazine
CID 123392297
Octahydropyrazinoquinoline
CID 129875849
1-[2-(2,3-Dihydropyridin-2-yl)ethyl]piperazine
CID 57000685
(3S)-3,5-dimethyl-1-[(1R)-1-(5-methylcyclohex-3-en-1-yl)ethyl]piperazine
CID 70355896
6-Methyl-3-(piperidin-4-ylmethyl)-2,3-dihydropyridine
CID 91582344
2-Piperidin-2-yl-2,3-dihydropyridine
CID 91801827
1-[1-(2,3-Dihydropyridin-4-yl)propyl]piperazine
CID 123300753
1-methyl-N-[2-[(4-methylcyclohex-2-en-1-ylidene)amino]ethyl]piperidin-4-amine
CID 123479366
N-ethyl-N'-[(6R)-6-methylcyclohex-3-en-1-yl]-1-piperazin-1-ylethane-1,2-diimine
CID 129074855
3-[4-(2,3-Dihydropyridin-2-yl)piperidin-1-yl]propan-1-amine
CID 141995495
1-(2,3-dihydropyridin-2-yl)-N-ethylpropan-1-amine;N-methylethanamine
CID 144144913
N'-[(3-methyl-2,3-dihydropyridin-2-yl)methyl]butane-1,4-diamine
CID 156421148

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,3-dihydropyridin-2-yl)-2-methylpropyl]piperazine?
The IUPAC name of 1-[1-(2,3-dihydropyridin-2-yl)-2-methylpropyl]piperazine (CID 123742591) is 1-[1-(2,3-dihydropyridin-2-yl)-2-methylpropyl]piperazine.
What is the SMILES notation for 1-[1-(2,3-dihydropyridin-2-yl)-2-methylpropyl]piperazine?
The canonical SMILES for 1-[1-(2,3-dihydropyridin-2-yl)-2-methylpropyl]piperazine is CC(C)C(C1CC=CC=N1)N1CCNCC1.
What is the InChIKey of 1-[1-(2,3-dihydropyridin-2-yl)-2-methylpropyl]piperazine?
The InChIKey is OSWLBVQSFFVYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-11(2)13(12-5-3-4-6-15-12)16-9-7-14-8-10-16/h3-4,6,11-14H,5,7-10H2,1-2H3.
What are the key properties of 1-[1-(2,3-dihydropyridin-2-yl)-2-methylpropyl]piperazine?
1-[1-(2,3-dihydropyridin-2-yl)-2-methylpropyl]piperazine has a molecular weight of 221.35 g/mol, XLogP of 1.32, 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-2-yl)-2-methylpropyl]piperazine is sourced from PubChem (CID 123742591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).