[4-(4-hydroxyphenyl)piperazin-1-yl]-(oxolan-2-yl)methanone

C15H20N2O3 — CID 47098482

IUPAC[4-(4-hydroxyphenyl)piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESO=C(C1CCCO1)N1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C15H20N2O3/c18-13-5-3-12(4-6-13)16-7-9-17(10-8-16)15(19)14-2-1-11-20-14/h3-6,14,18H,1-2,7-11H2
InChIKeyPCXBPFDGWDGMKO-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.22
Rot. Bonds2

About [4-(4-hydroxyphenyl)piperazin-1-yl]-(oxolan-2-yl)methanone

[4-(4-hydroxyphenyl)piperazin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 47098482) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is [4-(4-hydroxyphenyl)piperazin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[4-(4-hydroxyphenyl)piperazin-1-yl]-(oxolan-2-yl)methanone
PubChem CID47098482
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name[4-(4-hydroxyphenyl)piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESO=C(C1CCCO1)N1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C15H20N2O3/c18-13-5-3-12(4-6-13)16-7-9-17(10-8-16)15(19)14-2-1-11-20-14/h3-6,14,18H,1-2,7-11H2
InChIKeyPCXBPFDGWDGMKO-UHFFFAOYSA-N
XLogP1.22
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

oxolan-2-yl-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone
CID 113078894
[4-(4-fluorophenyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 3513759
N-[4-[4-(oxolane-2-carbonyl)piperazin-1-yl]phenyl]acetamide
CID 113078283
[4-(4-nitrophenyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 2861887
oxolan-2-yl-[4-(4-phenoxyphenyl)piperazin-1-yl]methanone
CID 110662200
[4-(4-fluorophenyl)piperazin-1-yl]-[1-(oxolane-2-carbonyl)piperidin-4-yl]methanone
CID 113004957
[4-(3,4-dichlorophenyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 2971476
[4-(3,4-dichlorophenyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 1247457
[4-(6-amino-3-pyridinyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 43461892
cyclohexyl-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
CID 78777393
1-(oxolane-2-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 113008118
oxolan-2-yl-(4-quinazolin-6-ylpiperazin-1-yl)methanone
CID 126894159

Frequently Asked Questions

What is the IUPAC name of [4-(4-hydroxyphenyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [4-(4-hydroxyphenyl)piperazin-1-yl]-(oxolan-2-yl)methanone (CID 47098482) is [4-(4-hydroxyphenyl)piperazin-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [4-(4-hydroxyphenyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [4-(4-hydroxyphenyl)piperazin-1-yl]-(oxolan-2-yl)methanone is O=C(C1CCCO1)N1CCN(c2ccc(O)cc2)CC1.
What is the InChIKey of [4-(4-hydroxyphenyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is PCXBPFDGWDGMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c18-13-5-3-12(4-6-13)16-7-9-17(10-8-16)15(19)14-2-1-11-20-14/h3-6,14,18H,1-2,7-11H2.
What are the key properties of [4-(4-hydroxyphenyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
[4-(4-hydroxyphenyl)piperazin-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 276.34 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-hydroxyphenyl)piperazin-1-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 47098482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).