(4-hydroxyphenyl)methyl piperazine-1-carboxylate

Name: (4-hydroxyphenyl)methyl piperazine-1-carboxylate — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₂H₁₆N₂O₃ — CID 141088102

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 CID	141088102
Molecular Formula	C₁₂H₁₆N₂O₃
Molecular Weight	236.27 g/mol
Exact Mass	236.12
IUPAC Name	(4-hydroxyphenyl)methyl piperazine-1-carboxylate
SMILES	O=C(OCc1ccc(O)cc1)N1CCNCC1
InChI	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
InChIKey	KNQZHSUBMOOBBV-UHFFFAOYSA-N
XLogP	0.93
TPSA	61.80 Å²
H-Bond Donors	2
H-Bond Acceptors	4
Rotatable Bonds	2
Heavy Atoms	17
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	236.27
LogP ≤ 5	0.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

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).

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Sources

PubChem CID 141088102 — identifiers, structure, computed properties (public domain)

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