(4S)-4-hydroxy-1-[4-(1-hydroxy-2-methylpropan-2-yl)piperazin-1-yl]octan-1-one

C16H32N2O3 — CID 164638526

IUPAC(4S)-4-hydroxy-1-[4-(1-hydroxy-2-methylpropan-2-yl)piperazin-1-yl]octan-1-one
SMILESCCCC[C@H](O)CCC(=O)N1CCN(C(C)(C)CO)CC1
InChIInChI=1S/C16H32N2O3/c1-4-5-6-14(20)7-8-15(21)17-9-11-18(12-10-17)16(2,3)13-19/h14,19-20H,4-13H2,1-3H3/t14-/m0/s1
InChIKeyZRWNZYSTWMXNAU-AWEZNQCLSA-N
MW300.44 g/mol
LogP1.23
Rot. Bonds8

About (4S)-4-hydroxy-1-[4-(1-hydroxy-2-methylpropan-2-yl)piperazin-1-yl]octan-1-one

(4S)-4-hydroxy-1-[4-(1-hydroxy-2-methylpropan-2-yl)piperazin-1-yl]octan-1-one (PubChem CID 164638526) has the molecular formula C16H32N2O3 and a molecular weight of 300.44 g/mol. Its IUPAC name is (4S)-4-hydroxy-1-[4-(1-hydroxy-2-methylpropan-2-yl)piperazin-1-yl]octan-1-one.

Molecular Properties

Compound Name(4S)-4-hydroxy-1-[4-(1-hydroxy-2-methylpropan-2-yl)piperazin-1-yl]octan-1-one
PubChem CID164638526
Molecular FormulaC16H32N2O3
Molecular Weight300.44 g/mol
Exact Mass300.24
IUPAC Name(4S)-4-hydroxy-1-[4-(1-hydroxy-2-methylpropan-2-yl)piperazin-1-yl]octan-1-one
SMILESCCCC[C@H](O)CCC(=O)N1CCN(C(C)(C)CO)CC1
InChIInChI=1S/C16H32N2O3/c1-4-5-6-14(20)7-8-15(21)17-9-11-18(12-10-17)16(2,3)13-19/h14,19-20H,4-13H2,1-3H3/t14-/m0/s1
InChIKeyZRWNZYSTWMXNAU-AWEZNQCLSA-N
XLogP1.23
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-hydroxy-1-[4-(1-hydroxy-2-methylpropan-2-yl)piperazin-1-yl]octan-1-one?
The IUPAC name of (4S)-4-hydroxy-1-[4-(1-hydroxy-2-methylpropan-2-yl)piperazin-1-yl]octan-1-one (CID 164638526) is (4S)-4-hydroxy-1-[4-(1-hydroxy-2-methylpropan-2-yl)piperazin-1-yl]octan-1-one.
What is the SMILES notation for (4S)-4-hydroxy-1-[4-(1-hydroxy-2-methylpropan-2-yl)piperazin-1-yl]octan-1-one?
The canonical SMILES for (4S)-4-hydroxy-1-[4-(1-hydroxy-2-methylpropan-2-yl)piperazin-1-yl]octan-1-one is CCCC[C@H](O)CCC(=O)N1CCN(C(C)(C)CO)CC1.
What is the InChIKey of (4S)-4-hydroxy-1-[4-(1-hydroxy-2-methylpropan-2-yl)piperazin-1-yl]octan-1-one?
The InChIKey is ZRWNZYSTWMXNAU-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H32N2O3/c1-4-5-6-14(20)7-8-15(21)17-9-11-18(12-10-17)16(2,3)13-19/h14,19-20H,4-13H2,1-3H3/t14-/m0/s1.
What are the key properties of (4S)-4-hydroxy-1-[4-(1-hydroxy-2-methylpropan-2-yl)piperazin-1-yl]octan-1-one?
(4S)-4-hydroxy-1-[4-(1-hydroxy-2-methylpropan-2-yl)piperazin-1-yl]octan-1-one has a molecular weight of 300.44 g/mol, XLogP of 1.23, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-hydroxy-1-[4-(1-hydroxy-2-methylpropan-2-yl)piperazin-1-yl]octan-1-one is sourced from PubChem (CID 164638526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).