1-butan-2-yl-4-(3,3-dimethylpiperidin-4-yl)piperazine

C15H31N3 — CID 117025059

IUPAC1-butan-2-yl-4-(3,3-dimethylpiperidin-4-yl)piperazine
SMILESCCC(C)N1CCN(C2CCNCC2(C)C)CC1
InChIInChI=1S/C15H31N3/c1-5-13(2)17-8-10-18(11-9-17)14-6-7-16-12-15(14,3)4/h13-14,16H,5-12H2,1-4H3
InChIKeyITAVSVJMKFAGTK-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.79
Rot. Bonds3

About 1-butan-2-yl-4-(3,3-dimethylpiperidin-4-yl)piperazine

1-butan-2-yl-4-(3,3-dimethylpiperidin-4-yl)piperazine (PubChem CID 117025059) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is 1-butan-2-yl-4-(3,3-dimethylpiperidin-4-yl)piperazine.

Molecular Properties

Compound Name1-butan-2-yl-4-(3,3-dimethylpiperidin-4-yl)piperazine
PubChem CID117025059
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Name1-butan-2-yl-4-(3,3-dimethylpiperidin-4-yl)piperazine
SMILESCCC(C)N1CCN(C2CCNCC2(C)C)CC1
InChIInChI=1S/C15H31N3/c1-5-13(2)17-8-10-18(11-9-17)14-6-7-16-12-15(14,3)4/h13-14,16H,5-12H2,1-4H3
InChIKeyITAVSVJMKFAGTK-UHFFFAOYSA-N
XLogP1.79
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,3-dimethylpiperidin-4-yl)-4-(2-methoxyethyl)piperazine
CID 117025061
1-tert-butyl-4-(3,3-dimethylpiperidin-4-yl)piperazine
CID 114235704
2-[4-(3,3-dimethylpiperidin-4-yl)piperazin-1-yl]ethanol
CID 114235692
(4-butan-2-ylpiperazin-1-yl)-(3-methylpyrrolidin-3-yl)methanone
CID 63142306
1-butan-2-yl-2,2-dimethylpiperazine
CID 64981259
1-butan-2-yl-4-[(2-methylpiperidin-2-yl)methyl]piperazine
CID 104595017
3,3-dimethyl-4-propan-2-yloxypiperidine
CID 130533491
trans-(1R,2R)-2-(4-butan-2-ylpiperazin-1-yl)cyclopentan-1-ol
CID 102734677
3-(4-butan-2-ylpiperazin-1-yl)cyclopentan-1-ol
CID 79643371
4-(1-butan-2-ylpyrrolidin-3-yl)piperidine;ethane
CID 170578445
trans-(1S,2S)-2-(4-butan-2-ylpiperazin-1-yl)cyclopentan-1-ol
CID 102734676
3,3-dimethyl-4-(2-methylpropoxy)piperidine
CID 130533487

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-(3,3-dimethylpiperidin-4-yl)piperazine?
The IUPAC name of 1-butan-2-yl-4-(3,3-dimethylpiperidin-4-yl)piperazine (CID 117025059) is 1-butan-2-yl-4-(3,3-dimethylpiperidin-4-yl)piperazine.
What is the SMILES notation for 1-butan-2-yl-4-(3,3-dimethylpiperidin-4-yl)piperazine?
The canonical SMILES for 1-butan-2-yl-4-(3,3-dimethylpiperidin-4-yl)piperazine is CCC(C)N1CCN(C2CCNCC2(C)C)CC1.
What is the InChIKey of 1-butan-2-yl-4-(3,3-dimethylpiperidin-4-yl)piperazine?
The InChIKey is ITAVSVJMKFAGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-5-13(2)17-8-10-18(11-9-17)14-6-7-16-12-15(14,3)4/h13-14,16H,5-12H2,1-4H3.
What are the key properties of 1-butan-2-yl-4-(3,3-dimethylpiperidin-4-yl)piperazine?
1-butan-2-yl-4-(3,3-dimethylpiperidin-4-yl)piperazine has a molecular weight of 253.43 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-4-(3,3-dimethylpiperidin-4-yl)piperazine is sourced from PubChem (CID 117025059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).