ethyl 4-[(2S)-2-hydroxy-2-phenylethyl]piperazine-1-carboxylate

C15H22N2O3 — CID 2106477

IUPACethyl 4-[(2S)-2-hydroxy-2-phenylethyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1
InChIInChI=1S/C15H22N2O3/c1-2-20-15(19)17-10-8-16(9-11-17)12-14(18)13-6-4-3-5-7-13/h3-7,14,18H,2,8-12H2,1H3/t14-/m1/s1
InChIKeyDBOBVPUXSUIZDB-CQSZACIVSA-N
MW278.35 g/mol
LogP1.49
Rot. Bonds4

About ethyl 4-[(2S)-2-hydroxy-2-phenylethyl]piperazine-1-carboxylate

ethyl 4-[(2S)-2-hydroxy-2-phenylethyl]piperazine-1-carboxylate (PubChem CID 2106477) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is ethyl 4-[(2S)-2-hydroxy-2-phenylethyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(2S)-2-hydroxy-2-phenylethyl]piperazine-1-carboxylate
PubChem CID2106477
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Nameethyl 4-[(2S)-2-hydroxy-2-phenylethyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1
InChIInChI=1S/C15H22N2O3/c1-2-20-15(19)17-10-8-16(9-11-17)12-14(18)13-6-4-3-5-7-13/h3-7,14,18H,2,8-12H2,1H3/t14-/m1/s1
InChIKeyDBOBVPUXSUIZDB-CQSZACIVSA-N
XLogP1.49
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(2-hydroxy-2-phenylethyl)piperazine-1-carboxylate
CID 3269514
ethyl 4-[2-(4-chlorophenyl)-2-hydroxyethyl]piperazine-1-carboxylate
CID 11066955
ethyl 4-[2-(2-fluorophenyl)-2-hydroxyethyl]piperazine-1-carboxylate
CID 110887601
(2R)-2-ethoxy-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]butan-1-one
CID 95347642
1-[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-2-propoxyethanone
CID 95345396
1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-3-methylbutane-1,2-dione
CID 124744287
ethyl 4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]piperazine-1-carboxylate
CID 8932163
2-amino-1-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-2-phenylpropan-1-one
CID 120596642
ethyl 4-(2-hydroxy-3-phenylmethoxypropyl)piperazine-1-carboxylate chloride
CID 46863744
ethyl 4-(2-hydroxy-3-phenylmethoxypropyl)piperazine-1-carboxylate;hydrochloride
CID 2770557
(2S)-1-[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-2-prop-2-enoxypropan-1-one
CID 95601915
(2R)-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-2-prop-2-enoxypropan-1-one
CID 95601912

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2S)-2-hydroxy-2-phenylethyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[(2S)-2-hydroxy-2-phenylethyl]piperazine-1-carboxylate (CID 2106477) is ethyl 4-[(2S)-2-hydroxy-2-phenylethyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(2S)-2-hydroxy-2-phenylethyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[(2S)-2-hydroxy-2-phenylethyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1.
What is the InChIKey of ethyl 4-[(2S)-2-hydroxy-2-phenylethyl]piperazine-1-carboxylate?
The InChIKey is DBOBVPUXSUIZDB-CQSZACIVSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-2-20-15(19)17-10-8-16(9-11-17)12-14(18)13-6-4-3-5-7-13/h3-7,14,18H,2,8-12H2,1H3/t14-/m1/s1.
What are the key properties of ethyl 4-[(2S)-2-hydroxy-2-phenylethyl]piperazine-1-carboxylate?
ethyl 4-[(2S)-2-hydroxy-2-phenylethyl]piperazine-1-carboxylate has a molecular weight of 278.35 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2S)-2-hydroxy-2-phenylethyl]piperazine-1-carboxylate is sourced from PubChem (CID 2106477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).