tert-butyl 4-(3-hydroxy-1-phenylpropyl)piperazine-1-carboxylate

C18H28N2O3 — CID 142661174

IUPACtert-butyl 4-(3-hydroxy-1-phenylpropyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(CCO)c2ccccc2)CC1
InChIInChI=1S/C18H28N2O3/c1-18(2,3)23-17(22)20-12-10-19(11-13-20)16(9-14-21)15-7-5-4-6-8-15/h4-8,16,21H,9-14H2,1-3H3
InChIKeyQGZXCNDEOWPHDA-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.66
Rot. Bonds4

About tert-butyl 4-(3-hydroxy-1-phenylpropyl)piperazine-1-carboxylate

tert-butyl 4-(3-hydroxy-1-phenylpropyl)piperazine-1-carboxylate (PubChem CID 142661174) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is tert-butyl 4-(3-hydroxy-1-phenylpropyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(3-hydroxy-1-phenylpropyl)piperazine-1-carboxylate
PubChem CID142661174
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Nametert-butyl 4-(3-hydroxy-1-phenylpropyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(CCO)c2ccccc2)CC1
InChIInChI=1S/C18H28N2O3/c1-18(2,3)23-17(22)20-12-10-19(11-13-20)16(9-14-21)15-7-5-4-6-8-15/h4-8,16,21H,9-14H2,1-3H3
InChIKeyQGZXCNDEOWPHDA-UHFFFAOYSA-N
XLogP2.66
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-[(1R)-2-amino-1-phenylethyl]piperazine-1-carboxylate
CID 51623312
tert-butyl 4-[2-(dipropylamino)-1-phenylethyl]piperazine-1-carboxylate
CID 58786483
tert-butyl 4-(2,2-diphenylacetyl)piperazine-1-carboxylate
CID 16617188
tert-butyl 4-[(2R)-4-hydroxybutan-2-yl]piperazine-1-carboxylate
CID 70034747
tert-butyl 4-[N'-(2-phenyl-2-pyrrolidin-1-ylethyl)carbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 111029795
tert-butyl 4-[(1R)-2-hydroxy-1-phenylethyl]-3-oxopiperazine-1-carboxylate
CID 11045432
tert-butyl 4-[1-[4-(1-aminoethyl)phenyl]propyl]piperazine-1-carboxylate
CID 175168311
tert-butyl 4-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)piperazine-1-carboxylate
CID 60587742
tert-butyl 4-[(1S)-2-amino-1-(4-bromophenyl)ethyl]piperazine-1-carboxylate
CID 28703969
tert-butyl 4-[(1R)-2-amino-1-(4-methoxyphenyl)ethyl]piperazine-1-carboxylate
CID 28703897
tert-butyl 4-[1-(4-chlorophenyl)-5-(dimethylamino)pentyl]piperazine-1-carboxylate
CID 142156946
tert-butyl 4-[2-amino-1-(2-bromophenyl)ethyl]piperazine-1-carboxylate
CID 104933462

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(3-hydroxy-1-phenylpropyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(3-hydroxy-1-phenylpropyl)piperazine-1-carboxylate (CID 142661174) is tert-butyl 4-(3-hydroxy-1-phenylpropyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(3-hydroxy-1-phenylpropyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(3-hydroxy-1-phenylpropyl)piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(C(CCO)c2ccccc2)CC1.
What is the InChIKey of tert-butyl 4-(3-hydroxy-1-phenylpropyl)piperazine-1-carboxylate?
The InChIKey is QGZXCNDEOWPHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-18(2,3)23-17(22)20-12-10-19(11-13-20)16(9-14-21)15-7-5-4-6-8-15/h4-8,16,21H,9-14H2,1-3H3.
What are the key properties of tert-butyl 4-(3-hydroxy-1-phenylpropyl)piperazine-1-carboxylate?
tert-butyl 4-(3-hydroxy-1-phenylpropyl)piperazine-1-carboxylate has a molecular weight of 320.43 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(3-hydroxy-1-phenylpropyl)piperazine-1-carboxylate is sourced from PubChem (CID 142661174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).