2-(4-tert-butylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one

C16H31N3O — CID 62089527

IUPAC2-(4-tert-butylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCNCC1)N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H31N3O/c1-13(15(20)19-11-7-17-8-12-19)18-9-5-14(6-10-18)16(2,3)4/h13-14,17H,5-12H2,1-4H3
InChIKeyIQZGSXOCIRYNJP-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.56
Rot. Bonds2

About 2-(4-tert-butylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one

2-(4-tert-butylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one (PubChem CID 62089527) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 2-(4-tert-butylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-(4-tert-butylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one
PubChem CID62089527
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name2-(4-tert-butylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCNCC1)N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H31N3O/c1-13(15(20)19-11-7-17-8-12-19)18-9-5-14(6-10-18)16(2,3)4/h13-14,17H,5-12H2,1-4H3
InChIKeyIQZGSXOCIRYNJP-UHFFFAOYSA-N
XLogP1.56
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(diethylamino)pyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 63169579
1-(3,5-dimethylpiperidin-1-yl)-2-piperazin-1-ylpropan-1-one
CID 43130716
1-morpholin-4-yl-2-piperazin-1-ylpropan-1-one;dihydrochloride
CID 50988307
(2S)-2,3,3-trimethyl-1-piperazin-1-ylbutan-1-one
CID 59979591
1-(azepan-1-yl)-2-(1,4-diazepan-1-yl)propan-1-one;hydrochloride
CID 119925291
2-(2-methylmorpholin-4-yl)-1-piperazin-1-ylpropan-1-one
CID 24697719
(4-tert-butylpiperidin-1-yl)-piperidin-4-ylmethanone;hydrochloride
CID 119311368
2-(2-methylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one
CID 24693532
2-(4-tert-butylcyclohexyl)-2-piperazin-1-ylacetic acid
CID 104575554
1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-piperazin-1-ylpropan-1-one
CID 43592282
2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-1-piperazin-1-ylpropan-1-one
CID 107223182
1-(azepan-1-yl)-2-(4-hydroxypiperidin-1-yl)propan-1-one
CID 60676901

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 2-(4-tert-butylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one (CID 62089527) is 2-(4-tert-butylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 2-(4-tert-butylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 2-(4-tert-butylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one is CC(C(=O)N1CCNCC1)N1CCC(C(C)(C)C)CC1.
What is the InChIKey of 2-(4-tert-butylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one?
The InChIKey is IQZGSXOCIRYNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-13(15(20)19-11-7-17-8-12-19)18-9-5-14(6-10-18)16(2,3)4/h13-14,17H,5-12H2,1-4H3.
What are the key properties of 2-(4-tert-butylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one?
2-(4-tert-butylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one has a molecular weight of 281.44 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 62089527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).