(4-hydroxyphenyl)methyl piperazine-1-carboxylate

C12H16N2O3 — CID 141088102

IUPAC(4-hydroxyphenyl)methyl piperazine-1-carboxylate
SMILESO=C(OCc1ccc(O)cc1)N1CCNCC1
InChIInChI=1S/C12H16N2O3/c15-11-3-1-10(2-4-11)9-17-12(16)14-7-5-13-6-8-14/h1-4,13,15H,5-9H2
InChIKeyKNQZHSUBMOOBBV-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.93
Rot. Bonds2

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

(4-hydroxyphenyl)methyl piperazine-1-carboxylate (PubChem CID 141088102) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is (4-hydroxyphenyl)methyl piperazine-1-carboxylate.

Molecular Properties

Compound Name(4-hydroxyphenyl)methyl piperazine-1-carboxylate
PubChem CID141088102
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name(4-hydroxyphenyl)methyl piperazine-1-carboxylate
SMILESO=C(OCc1ccc(O)cc1)N1CCNCC1
InChIInChI=1S/C12H16N2O3/c15-11-3-1-10(2-4-11)9-17-12(16)14-7-5-13-6-8-14/h1-4,13,15H,5-9H2
InChIKeyKNQZHSUBMOOBBV-UHFFFAOYSA-N
XLogP0.93
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 1,4,7,10-tetrazacyclododecane-1-carboxylate
CID 11154253
(4-tert-butylphenyl)methyl piperazine-1-carboxylate
CID 69141163
[4-(trifluoromethoxy)phenyl]methyl 1,4-diazepane-1-carboxylate
CID 91165580
(3,5-dimethoxyphenyl)methyl piperazine-1-carboxylate
CID 66720576
[4-methyl-3-(trifluoromethyl)phenyl]methyl piperazine-1-carboxylate
CID 66720556
[3,5-bis(trifluoromethyl)phenyl]methyl piperazine-1-carboxylate
CID 87123270
[4-chloro-3-(trifluoromethoxy)phenyl]methyl piperazine-1-carboxylate
CID 66720697
(3-methoxyphenyl)methyl piperazine-1-carboxylate
CID 69142530
S-[(4-hydroxyphenyl)methyl] piperazine-1-carbothioate
CID 22220111
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl 4-(4-hydroxyphenyl)piperazine-1-carboxylate
CID 54123735
(4-chloro-2-fluorophenyl)methyl piperazine-1-carboxylate
CID 66720606

Frequently Asked Questions

What is the IUPAC name of (4-hydroxyphenyl)methyl piperazine-1-carboxylate?
The IUPAC name of (4-hydroxyphenyl)methyl piperazine-1-carboxylate (CID 141088102) is (4-hydroxyphenyl)methyl piperazine-1-carboxylate.
What is the SMILES notation for (4-hydroxyphenyl)methyl piperazine-1-carboxylate?
The canonical SMILES for (4-hydroxyphenyl)methyl piperazine-1-carboxylate is O=C(OCc1ccc(O)cc1)N1CCNCC1.
What is the InChIKey of (4-hydroxyphenyl)methyl piperazine-1-carboxylate?
The InChIKey is KNQZHSUBMOOBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c15-11-3-1-10(2-4-11)9-17-12(16)14-7-5-13-6-8-14/h1-4,13,15H,5-9H2.
What are the key properties of (4-hydroxyphenyl)methyl piperazine-1-carboxylate?
(4-hydroxyphenyl)methyl piperazine-1-carboxylate has a molecular weight of 236.27 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxyphenyl)methyl piperazine-1-carboxylate is sourced from PubChem (CID 141088102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).