3-(2-methylpropyl)-1-(2-methyl-3-pyridinyl)piperazine

C14H23N3 — CID 79043174

IUPAC3-(2-methylpropyl)-1-(2-methyl-3-pyridinyl)piperazine
SMILESCc1ncccc1N1CCNC(CC(C)C)C1
InChIInChI=1S/C14H23N3/c1-11(2)9-13-10-17(8-7-16-13)14-5-4-6-15-12(14)3/h4-6,11,13,16H,7-10H2,1-3H3
InChIKeyRQZROWNNGZEDNC-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.21
Rot. Bonds3

About 3-(2-methylpropyl)-1-(2-methyl-3-pyridinyl)piperazine

3-(2-methylpropyl)-1-(2-methyl-3-pyridinyl)piperazine (PubChem CID 79043174) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 3-(2-methylpropyl)-1-(2-methyl-3-pyridinyl)piperazine.

Molecular Properties

Compound Name3-(2-methylpropyl)-1-(2-methyl-3-pyridinyl)piperazine
PubChem CID79043174
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name3-(2-methylpropyl)-1-(2-methyl-3-pyridinyl)piperazine
SMILESCc1ncccc1N1CCNC(CC(C)C)C1
InChIInChI=1S/C14H23N3/c1-11(2)9-13-10-17(8-7-16-13)14-5-4-6-15-12(14)3/h4-6,11,13,16H,7-10H2,1-3H3
InChIKeyRQZROWNNGZEDNC-UHFFFAOYSA-N
XLogP2.21
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Anabasine
CID 205586
(+-)-Anabasine
CID 2181
5,5'-Dimethyl-2,2'-bipyridyl
CID 15664
Betahistine
CID 2366
3-Aminopyridine
CID 10009
2-Pyridinemethanamine
CID 19509
(-)-Anatabine
CID 11388
Tc-2216
CID 10176607
Betahistine Hydrochloride
CID 68643
Bis(2-pyridylmethyl)amine
CID 73759
2-(2-(1-Piperidinyl)ethyl)pyridine
CID 79548
(+-)-1,2,3,6-Tetrahydro-2,3'-bipyridine
CID 261474

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-1-(2-methyl-3-pyridinyl)piperazine?
The IUPAC name of 3-(2-methylpropyl)-1-(2-methyl-3-pyridinyl)piperazine (CID 79043174) is 3-(2-methylpropyl)-1-(2-methyl-3-pyridinyl)piperazine.
What is the SMILES notation for 3-(2-methylpropyl)-1-(2-methyl-3-pyridinyl)piperazine?
The canonical SMILES for 3-(2-methylpropyl)-1-(2-methyl-3-pyridinyl)piperazine is Cc1ncccc1N1CCNC(CC(C)C)C1.
What is the InChIKey of 3-(2-methylpropyl)-1-(2-methyl-3-pyridinyl)piperazine?
The InChIKey is RQZROWNNGZEDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-11(2)9-13-10-17(8-7-16-13)14-5-4-6-15-12(14)3/h4-6,11,13,16H,7-10H2,1-3H3.
What are the key properties of 3-(2-methylpropyl)-1-(2-methyl-3-pyridinyl)piperazine?
3-(2-methylpropyl)-1-(2-methyl-3-pyridinyl)piperazine has a molecular weight of 233.36 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-1-(2-methyl-3-pyridinyl)piperazine is sourced from PubChem (CID 79043174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).