benzyl 4-(2-aminopropyl)piperazine-1-carboxylate

C15H23N3O2 — CID 69162546

IUPACbenzyl 4-(2-aminopropyl)piperazine-1-carboxylate
SMILESCC(N)CN1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C15H23N3O2/c1-13(16)11-17-7-9-18(10-8-17)15(19)20-12-14-5-3-2-4-6-14/h2-6,13H,7-12,16H2,1H3
InChIKeyMZRBMRPRCNHALQ-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.29
Rot. Bonds4

About benzyl 4-(2-aminopropyl)piperazine-1-carboxylate

benzyl 4-(2-aminopropyl)piperazine-1-carboxylate (PubChem CID 69162546) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is benzyl 4-(2-aminopropyl)piperazine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-(2-aminopropyl)piperazine-1-carboxylate
PubChem CID69162546
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Namebenzyl 4-(2-aminopropyl)piperazine-1-carboxylate
SMILESCC(N)CN1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C15H23N3O2/c1-13(16)11-17-7-9-18(10-8-17)15(19)20-12-14-5-3-2-4-6-14/h2-6,13H,7-12,16H2,1H3
InChIKeyMZRBMRPRCNHALQ-UHFFFAOYSA-N
XLogP1.29
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl 4-(2-methylsulfonyloxypropyl)piperazine-1-carboxylate
CID 86651906
benzyl 4-(2,3-dihydroxypropyl)piperazine-1-carboxylate
CID 166610780
benzyl aziridine-1-carboxylate;silane
CID 158496499
benzyl 4-(2,2-dimethylpropyl)piperazine-1-carboxylate
CID 110290734
benzyl 4-(3-oxopentan-2-yl)piperazine-1-carboxylate
CID 90862168
benzyl 4-pentylpiperazine-1-carboxylate
CID 20795377
benzyl 4-propanethioylpiperazine-1-carboxylate
CID 123985918
benzyl 4-[3-(2-methylpropoxy)-3-oxopropyl]piperazine-1-carboxylate
CID 131999377
ethyl 4-(2-aminopropyl)piperazine-1-carboxylate
CID 107877031
benzyl 4-[2-amino-3-(4-hydroxyphenyl)propyl]-1,4-diazepane-1-carboxylate
CID 19796360
benzyl 4-[(1-methylcyclopropyl)methyl]piperazine-1-carboxylate
CID 167628584

Frequently Asked Questions

What is the IUPAC name of benzyl 4-(2-aminopropyl)piperazine-1-carboxylate?
The IUPAC name of benzyl 4-(2-aminopropyl)piperazine-1-carboxylate (CID 69162546) is benzyl 4-(2-aminopropyl)piperazine-1-carboxylate.
What is the SMILES notation for benzyl 4-(2-aminopropyl)piperazine-1-carboxylate?
The canonical SMILES for benzyl 4-(2-aminopropyl)piperazine-1-carboxylate is CC(N)CN1CCN(C(=O)OCc2ccccc2)CC1.
What is the InChIKey of benzyl 4-(2-aminopropyl)piperazine-1-carboxylate?
The InChIKey is MZRBMRPRCNHALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-13(16)11-17-7-9-18(10-8-17)15(19)20-12-14-5-3-2-4-6-14/h2-6,13H,7-12,16H2,1H3.
What are the key properties of benzyl 4-(2-aminopropyl)piperazine-1-carboxylate?
benzyl 4-(2-aminopropyl)piperazine-1-carboxylate has a molecular weight of 277.37 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-(2-aminopropyl)piperazine-1-carboxylate is sourced from PubChem (CID 69162546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).