tert-butyl N-[2-(4-benzylpiperazin-2-yl)propyl]carbamate

C19H31N3O2 — CID 82667865

IUPACtert-butyl N-[2-(4-benzylpiperazin-2-yl)propyl]carbamate
SMILESCC(CNC(=O)OC(C)(C)C)C1CN(Cc2ccccc2)CCN1
InChIInChI=1S/C19H31N3O2/c1-15(12-21-18(23)24-19(2,3)4)17-14-22(11-10-20-17)13-16-8-6-5-7-9-16/h5-9,15,17,20H,10-14H2,1-4H3,(H,21,23)
InChIKeyUXUYXKMOCWYZOY-UHFFFAOYSA-N
MW333.48 g/mol
LogP2.62
Rot. Bonds5

About tert-butyl N-[2-(4-benzylpiperazin-2-yl)propyl]carbamate

tert-butyl N-[2-(4-benzylpiperazin-2-yl)propyl]carbamate (PubChem CID 82667865) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is tert-butyl N-[2-(4-benzylpiperazin-2-yl)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(4-benzylpiperazin-2-yl)propyl]carbamate
PubChem CID82667865
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Nametert-butyl N-[2-(4-benzylpiperazin-2-yl)propyl]carbamate
SMILESCC(CNC(=O)OC(C)(C)C)C1CN(Cc2ccccc2)CCN1
InChIInChI=1S/C19H31N3O2/c1-15(12-21-18(23)24-19(2,3)4)17-14-22(11-10-20-17)13-16-8-6-5-7-9-16/h5-9,15,17,20H,10-14H2,1-4H3,(H,21,23)
InChIKeyUXUYXKMOCWYZOY-UHFFFAOYSA-N
XLogP2.62
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[(2S)-4-benzylpiperazin-2-yl]ethanol
CID 92978714
tert-butyl N-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]carbamate
CID 97170435
4-[[(3R)-3-propan-2-ylpiperazin-1-yl]methyl]benzoic acid
CID 45073220
tert-butyl N-[(1-benzylazepan-3-yl)methyl]carbamate
CID 130577903
tert-butyl N-[(3R)-1-benzylpyrrolidin-3-yl]carbamate
CID 10286119
tert-butyl N-[[(3R,4S)-1-benzyl-3,4-dihydroxypiperidin-4-yl]methyl]carbamate
CID 125130365
tert-butyl N-[(3R,4R)-1-benzyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-3-yl]carbamate
CID 11784143
tert-butyl N-[(3R,4R)-1-benzyl-3-methylpiperidin-4-yl]carbamate
CID 69019941
tert-butyl N-(4-amino-1-benzylpiperidin-3-yl)carbamate
CID 123824709
1-[(2S)-4-benzylpiperazin-2-yl]propan-2-one;tert-butyl formate
CID 174536749
tert-butyl N-[(1S)-1-(1-benzylpyrrolidin-3-yl)propyl]carbamate
CID 10358533
tert-butyl N-[[1-[(4-benzylpiperazin-1-yl)methyl]cyclohexyl]methyl]carbamate
CID 18430867

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(4-benzylpiperazin-2-yl)propyl]carbamate?
The IUPAC name of tert-butyl N-[2-(4-benzylpiperazin-2-yl)propyl]carbamate (CID 82667865) is tert-butyl N-[2-(4-benzylpiperazin-2-yl)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(4-benzylpiperazin-2-yl)propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(4-benzylpiperazin-2-yl)propyl]carbamate is CC(CNC(=O)OC(C)(C)C)C1CN(Cc2ccccc2)CCN1.
What is the InChIKey of tert-butyl N-[2-(4-benzylpiperazin-2-yl)propyl]carbamate?
The InChIKey is UXUYXKMOCWYZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-15(12-21-18(23)24-19(2,3)4)17-14-22(11-10-20-17)13-16-8-6-5-7-9-16/h5-9,15,17,20H,10-14H2,1-4H3,(H,21,23).
What are the key properties of tert-butyl N-[2-(4-benzylpiperazin-2-yl)propyl]carbamate?
tert-butyl N-[2-(4-benzylpiperazin-2-yl)propyl]carbamate has a molecular weight of 333.48 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(4-benzylpiperazin-2-yl)propyl]carbamate is sourced from PubChem (CID 82667865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).