1-(oxocan-4-yl)-4-propan-2-ylpiperazine

C14H28N2O — CID 146561161

IUPAC1-(oxocan-4-yl)-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(C2CCCCOCC2)CC1
InChIInChI=1S/C14H28N2O/c1-13(2)15-7-9-16(10-8-15)14-5-3-4-11-17-12-6-14/h13-14H,3-12H2,1-2H3
InChIKeyLAJILZXJELLNNO-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.97
Rot. Bonds2

About 1-(oxocan-4-yl)-4-propan-2-ylpiperazine

1-(oxocan-4-yl)-4-propan-2-ylpiperazine (PubChem CID 146561161) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-(oxocan-4-yl)-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(oxocan-4-yl)-4-propan-2-ylpiperazine
PubChem CID146561161
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name1-(oxocan-4-yl)-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(C2CCCCOCC2)CC1
InChIInChI=1S/C14H28N2O/c1-13(2)15-7-9-16(10-8-15)14-5-3-4-11-17-12-6-14/h13-14H,3-12H2,1-2H3
InChIKeyLAJILZXJELLNNO-UHFFFAOYSA-N
XLogP1.97
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-4-propan-2-ylpiperazine
CID 59855791
1-(1-cyclohexylazetidin-3-yl)-4-propan-2-ylpiperazine
CID 126892268
1-cyclopropyl-4-propan-2-ylpiperazine;ethane
CID 169164545
4-(oxepan-4-yl)morpholine
CID 131201603
5-cyclopentyl-1,5-oxazocane
CID 174168377
[4-(oxan-4-yl)piperazin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone
CID 131944774
1,4-dicyclohexyl-7-[1-(4,7-dicyclohexyl-1,4,7-triazonan-1-yl)ethyl]-1,4,7-triazonane
CID 23439594
5-cyclononyl-1,5-oxazonane
CID 154308652
(8aR)-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;ethane
CID 161281609
ethane;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 145315776
4-(4-propan-2-ylpiperazin-1-yl)azepane
CID 63903106
1-cyclopentyl-4-(1-iodoethyl)piperazine
CID 139493034

Frequently Asked Questions

What is the IUPAC name of 1-(oxocan-4-yl)-4-propan-2-ylpiperazine?
The IUPAC name of 1-(oxocan-4-yl)-4-propan-2-ylpiperazine (CID 146561161) is 1-(oxocan-4-yl)-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-(oxocan-4-yl)-4-propan-2-ylpiperazine?
The canonical SMILES for 1-(oxocan-4-yl)-4-propan-2-ylpiperazine is CC(C)N1CCN(C2CCCCOCC2)CC1.
What is the InChIKey of 1-(oxocan-4-yl)-4-propan-2-ylpiperazine?
The InChIKey is LAJILZXJELLNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-13(2)15-7-9-16(10-8-15)14-5-3-4-11-17-12-6-14/h13-14H,3-12H2,1-2H3.
What are the key properties of 1-(oxocan-4-yl)-4-propan-2-ylpiperazine?
1-(oxocan-4-yl)-4-propan-2-ylpiperazine has a molecular weight of 240.39 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxocan-4-yl)-4-propan-2-ylpiperazine is sourced from PubChem (CID 146561161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).