propyl 4-(4-hydroxyphenyl)piperazine-1-carboxylate

C14H20N2O3 — CID 69479549

IUPACpropyl 4-(4-hydroxyphenyl)piperazine-1-carboxylate
SMILESCCCOC(=O)N1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C14H20N2O3/c1-2-11-19-14(18)16-9-7-15(8-10-16)12-3-5-13(17)6-4-12/h3-6,17H,2,7-11H2,1H3
InChIKeyQMDOYHNHLTXUDO-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.06
Rot. Bonds3

About propyl 4-(4-hydroxyphenyl)piperazine-1-carboxylate

propyl 4-(4-hydroxyphenyl)piperazine-1-carboxylate (PubChem CID 69479549) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is propyl 4-(4-hydroxyphenyl)piperazine-1-carboxylate.

Molecular Properties

Compound Namepropyl 4-(4-hydroxyphenyl)piperazine-1-carboxylate
PubChem CID69479549
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Namepropyl 4-(4-hydroxyphenyl)piperazine-1-carboxylate
SMILESCCCOC(=O)N1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C14H20N2O3/c1-2-11-19-14(18)16-9-7-15(8-10-16)12-3-5-13(17)6-4-12/h3-6,17H,2,7-11H2,1H3
InChIKeyQMDOYHNHLTXUDO-UHFFFAOYSA-N
XLogP2.06
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 4-(4-hydroxyphenyl)piperazine-1-carboxylate
CID 54123735
ethyl 4-(4-fluorophenyl)piperazine-1-carboxylate
CID 4179359
(2S)-2-amino-1-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-methylpentan-1-one
CID 61173212
butyl 4-[4-(dimethylamino)phenyl]-1,4-diazepane-1-carboxylate
CID 150450633
1-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-(4-propoxyphenyl)butane-1,4-dione
CID 78777581
2-amino-1-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one
CID 54868636
propyl azepane-1-carboxylate
CID 91585333
(2R)-2-amino-1-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119826928
methyl 4-(4-aminophenyl)piperazine-1-carboxylate
CID 43461605
[1-(aminomethyl)cyclopropyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
CID 115452712
1-[4-(4-aminophenyl)piperazin-1-yl]-3-(2-propoxyethoxy)propan-1-one
CID 162774631
4-(4-ethoxycarbonylpiperazin-1-yl)-2-methylbenzoic acid
CID 107877072

Frequently Asked Questions

What is the IUPAC name of propyl 4-(4-hydroxyphenyl)piperazine-1-carboxylate?
The IUPAC name of propyl 4-(4-hydroxyphenyl)piperazine-1-carboxylate (CID 69479549) is propyl 4-(4-hydroxyphenyl)piperazine-1-carboxylate.
What is the SMILES notation for propyl 4-(4-hydroxyphenyl)piperazine-1-carboxylate?
The canonical SMILES for propyl 4-(4-hydroxyphenyl)piperazine-1-carboxylate is CCCOC(=O)N1CCN(c2ccc(O)cc2)CC1.
What is the InChIKey of propyl 4-(4-hydroxyphenyl)piperazine-1-carboxylate?
The InChIKey is QMDOYHNHLTXUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-2-11-19-14(18)16-9-7-15(8-10-16)12-3-5-13(17)6-4-12/h3-6,17H,2,7-11H2,1H3.
What are the key properties of propyl 4-(4-hydroxyphenyl)piperazine-1-carboxylate?
propyl 4-(4-hydroxyphenyl)piperazine-1-carboxylate has a molecular weight of 264.32 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-(4-hydroxyphenyl)piperazine-1-carboxylate is sourced from PubChem (CID 69479549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).