3-butan-2-yl-1-(4-methyl-3-pyridinyl)piperazine

C14H23N3 — CID 64954803

IUPAC3-butan-2-yl-1-(4-methyl-3-pyridinyl)piperazine
SMILESCCC(C)C1CN(c2cnccc2C)CCN1
InChIInChI=1S/C14H23N3/c1-4-11(2)13-10-17(8-7-16-13)14-9-15-6-5-12(14)3/h5-6,9,11,13,16H,4,7-8,10H2,1-3H3
InChIKeyAZMWSADNJWPARI-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.21
Rot. Bonds3

About 3-butan-2-yl-1-(4-methyl-3-pyridinyl)piperazine

3-butan-2-yl-1-(4-methyl-3-pyridinyl)piperazine (PubChem CID 64954803) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 3-butan-2-yl-1-(4-methyl-3-pyridinyl)piperazine.

Molecular Properties

Compound Name3-butan-2-yl-1-(4-methyl-3-pyridinyl)piperazine
PubChem CID64954803
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name3-butan-2-yl-1-(4-methyl-3-pyridinyl)piperazine
SMILESCCC(C)C1CN(c2cnccc2C)CCN1
InChIInChI=1S/C14H23N3/c1-4-11(2)13-10-17(8-7-16-13)14-9-15-6-5-12(14)3/h5-6,9,11,13,16H,4,7-8,10H2,1-3H3
InChIKeyAZMWSADNJWPARI-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

3-butan-2-yl-1-(2-fluoro-5-methylphenyl)piperazine
CID 64926215
3-butan-2-yl-1-(2,4-dibromophenyl)piperazine
CID 64924362
3-cyclohexyl-1-(4-methyl-3-pyridinyl)piperazine
CID 64952009
3-butan-2-yl-1-(2,6-difluoro-3-methylphenyl)piperazine
CID 82819374
3-butan-2-yl-1-(2-methyl-3-pyridinyl)-1,4-diazepane
CID 79043090
3-butan-2-yl-1-(pyridin-4-ylmethyl)piperazine
CID 64831721
1-(4-bromo-2-chlorophenyl)-3-butan-2-ylpiperazine
CID 64924314
3-butan-2-yl-1-(2,6-difluorophenyl)piperazine
CID 64926019
3-butan-2-yl-1-(4-methoxy-3-methylphenyl)piperazine
CID 64926714
3-butan-2-yl-1-[2-(difluoromethoxy)phenyl]piperazine
CID 64925822
3-butan-2-yl-1-(3,5-dichlorophenyl)piperazine
CID 64926057
3,5-dimethyl-1-(4-methyl-3-pyridinyl)piperazine
CID 66273910

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-1-(4-methyl-3-pyridinyl)piperazine?
The IUPAC name of 3-butan-2-yl-1-(4-methyl-3-pyridinyl)piperazine (CID 64954803) is 3-butan-2-yl-1-(4-methyl-3-pyridinyl)piperazine.
What is the SMILES notation for 3-butan-2-yl-1-(4-methyl-3-pyridinyl)piperazine?
The canonical SMILES for 3-butan-2-yl-1-(4-methyl-3-pyridinyl)piperazine is CCC(C)C1CN(c2cnccc2C)CCN1.
What is the InChIKey of 3-butan-2-yl-1-(4-methyl-3-pyridinyl)piperazine?
The InChIKey is AZMWSADNJWPARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-4-11(2)13-10-17(8-7-16-13)14-9-15-6-5-12(14)3/h5-6,9,11,13,16H,4,7-8,10H2,1-3H3.
What are the key properties of 3-butan-2-yl-1-(4-methyl-3-pyridinyl)piperazine?
3-butan-2-yl-1-(4-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-butan-2-yl-1-(4-methyl-3-pyridinyl)piperazine is sourced from PubChem (CID 64954803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).