[4-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]-phenylmethanone

C18H28N2O3 — CID 6488937

IUPAC[4-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]-phenylmethanone
SMILESCC(C)(C)OCC(O)CN1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C18H28N2O3/c1-18(2,3)23-14-16(21)13-19-9-11-20(12-10-19)17(22)15-7-5-4-6-8-15/h4-8,16,21H,9-14H2,1-3H3
InChIKeyWDCUZOIOBDUMTA-UHFFFAOYSA-N
MW320.43 g/mol
LogP1.62
Rot. Bonds5

About [4-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]-phenylmethanone

[4-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]-phenylmethanone (PubChem CID 6488937) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is [4-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]-phenylmethanone
PubChem CID6488937
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name[4-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]-phenylmethanone
SMILESCC(C)(C)OCC(O)CN1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C18H28N2O3/c1-18(2,3)23-14-16(21)13-19-9-11-20(12-10-19)17(22)15-7-5-4-6-8-15/h4-8,16,21H,9-14H2,1-3H3
InChIKeyWDCUZOIOBDUMTA-UHFFFAOYSA-N
XLogP1.62
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Benzoyl-1-piperazinyl)-1-propanone
CID 4223812
N-Benzoylmorpholine
CID 15114
N,N-bis(2-hydroxypropyl)benzamide
CID 11470407
[4-(2,6-Dimethylmorpholin-4-yl)piperidin-1-yl]-phenylmethanone
CID 660329
(4-Methylpiperazin-1-yl)[4-(morpholin-4-ylmethyl)phenyl]methanone
CID 847672
N-allyl-6-(1-(4-fluorobenzoyl)piperidin-4-yloxy)-N-methylhexan-1-aminium
CID 44306062
(2R)-1-[(3R)-4-benzoyl-3-methylpiperazin-1-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one
CID 10759850
[2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)morpholin-4-yl]-(4-methylphenyl)methanone
CID 44517701
4-(4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl)morpholine
CID 2760141
2-(4-Benzoylpiperazin-1-yl)ethan-1-ol
CID 3261601
(3-Hydroxy-1-piperidinyl)phenylmethanone
CID 14920287
Tert-butyl 4-benzoylpiperazine-1-carboxylate
CID 18519756

Frequently Asked Questions

What is the IUPAC name of [4-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]-phenylmethanone?
The IUPAC name of [4-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]-phenylmethanone (CID 6488937) is [4-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]-phenylmethanone?
The canonical SMILES for [4-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]-phenylmethanone is CC(C)(C)OCC(O)CN1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of [4-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]-phenylmethanone?
The InChIKey is WDCUZOIOBDUMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-18(2,3)23-14-16(21)13-19-9-11-20(12-10-19)17(22)15-7-5-4-6-8-15/h4-8,16,21H,9-14H2,1-3H3.
What are the key properties of [4-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]-phenylmethanone?
[4-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]-phenylmethanone has a molecular weight of 320.43 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 6488937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).