tert-butyl 4-benzyl-3-(3-hydroxypropyl)piperazine-1-carboxylate

C19H30N2O3 — CID 23247137

IUPACtert-butyl 4-benzyl-3-(3-hydroxypropyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(Cc2ccccc2)C(CCCO)C1
InChIInChI=1S/C19H30N2O3/c1-19(2,3)24-18(23)21-12-11-20(17(15-21)10-7-13-22)14-16-8-5-4-6-9-16/h4-6,8-9,17,22H,7,10-15H2,1-3H3
InChIKeyAEZOLAAHPJDDSF-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.88
Rot. Bonds5

About tert-butyl 4-benzyl-3-(3-hydroxypropyl)piperazine-1-carboxylate

tert-butyl 4-benzyl-3-(3-hydroxypropyl)piperazine-1-carboxylate (PubChem CID 23247137) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is tert-butyl 4-benzyl-3-(3-hydroxypropyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-benzyl-3-(3-hydroxypropyl)piperazine-1-carboxylate
PubChem CID23247137
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Nametert-butyl 4-benzyl-3-(3-hydroxypropyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(Cc2ccccc2)C(CCCO)C1
InChIInChI=1S/C19H30N2O3/c1-19(2,3)24-18(23)21-12-11-20(17(15-21)10-7-13-22)14-16-8-5-4-6-9-16/h4-6,8-9,17,22H,7,10-15H2,1-3H3
InChIKeyAEZOLAAHPJDDSF-UHFFFAOYSA-N
XLogP2.88
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-ethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methyl]benzoic acid
CID 75088591
2-[[2-butyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methyl]benzoic acid
CID 75088575
tert-butyl 4-benzyl-3-cyanopiperazine-1-carboxylate
CID 53413955
2-[[(2R)-2-benzyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methyl]benzoic acid
CID 45073111
tert-butyl 3-(2-hydroxyethyl)-4-[3-(phenylmethoxycarbonylamino)propyl]piperazine-1-carboxylate
CID 167118845
tert-butyl 3-[[(3-amino-2,2-dimethyl-3-oxopropyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-4-benzylpiperazine-1-carboxylate
CID 59325149
tert-butyl (3R)-4-benzyl-3-methyl-1,4-diazepane-1-carboxylate
CID 70304372
tert-butyl 8-benzyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxylate
CID 118992843
tert-butyl 3-(3-hydroxypropyl)pyrrolidine-1-carboxylate;tert-butyl 3-(3-phenylmethoxypropyl)pyrrolidine-1-carboxylate
CID 161023380
tert-butyl 7-benzyl-9,9-difluoro-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate
CID 137480477
tert-butyl (3R)-3-(benzamidomethyl)-4-benzylpiperazine-1-carboxylate;tert-butyl (3R)-3-(benzamidomethyl)piperazine-1-carboxylate;uranium
CID 161247983
3-[[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methyl]benzoic acid
CID 45072537

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-benzyl-3-(3-hydroxypropyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-benzyl-3-(3-hydroxypropyl)piperazine-1-carboxylate (CID 23247137) is tert-butyl 4-benzyl-3-(3-hydroxypropyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-benzyl-3-(3-hydroxypropyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-benzyl-3-(3-hydroxypropyl)piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)C(CCCO)C1.
What is the InChIKey of tert-butyl 4-benzyl-3-(3-hydroxypropyl)piperazine-1-carboxylate?
The InChIKey is AEZOLAAHPJDDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-19(2,3)24-18(23)21-12-11-20(17(15-21)10-7-13-22)14-16-8-5-4-6-9-16/h4-6,8-9,17,22H,7,10-15H2,1-3H3.
What are the key properties of tert-butyl 4-benzyl-3-(3-hydroxypropyl)piperazine-1-carboxylate?
tert-butyl 4-benzyl-3-(3-hydroxypropyl)piperazine-1-carboxylate has a molecular weight of 334.46 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-benzyl-3-(3-hydroxypropyl)piperazine-1-carboxylate is sourced from PubChem (CID 23247137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).