benzyl 4-pentylpiperazine-1-carboxylate

C17H26N2O2 — CID 20795377

IUPACbenzyl 4-pentylpiperazine-1-carboxylate
SMILESCCCCCN1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C17H26N2O2/c1-2-3-7-10-18-11-13-19(14-12-18)17(20)21-15-16-8-5-4-6-9-16/h4-6,8-9H,2-3,7,10-15H2,1H3
InChIKeyZRKHUZNMAMGUSY-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.13
Rot. Bonds6

About benzyl 4-pentylpiperazine-1-carboxylate

benzyl 4-pentylpiperazine-1-carboxylate (PubChem CID 20795377) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is benzyl 4-pentylpiperazine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-pentylpiperazine-1-carboxylate
PubChem CID20795377
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Namebenzyl 4-pentylpiperazine-1-carboxylate
SMILESCCCCCN1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C17H26N2O2/c1-2-3-7-10-18-11-13-19(14-12-18)17(20)21-15-16-8-5-4-6-9-16/h4-6,8-9H,2-3,7,10-15H2,1H3
InChIKeyZRKHUZNMAMGUSY-UHFFFAOYSA-N
XLogP3.13
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl aziridine-1-carboxylate;silane
CID 158496499
[4-(trifluoromethoxy)phenyl]methyl 4-pentylpiperazine-1-carboxylate
CID 90968325
benzyl 4-(3-oxopropyl)piperazine-1-carboxylate
CID 87851629
benzyl 3-(4-butylpiperazin-1-yl)propanoate
CID 20795375
benzyl 4-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]piperazine-1-carboxylate
CID 166694268
benzyl 4-(2-hydroxyethyl)-1,4-diazepane-1-carboxylate
CID 63308848
benzyl 4-(2,2-dimethylpropyl)piperazine-1-carboxylate
CID 110290734
CID 143025575
CID 143025575
[4-(trifluoromethoxy)phenyl]methyl 4-butylpiperazine-1-carboxylate
CID 90755810
[2-(trifluoromethyl)phenyl]methyl 4-pentylpiperazine-1-carboxylate
CID 91201426
benzyl 4-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propyl]piperazine-1-carboxylate
CID 166066109

Frequently Asked Questions

What is the IUPAC name of benzyl 4-pentylpiperazine-1-carboxylate?
The IUPAC name of benzyl 4-pentylpiperazine-1-carboxylate (CID 20795377) is benzyl 4-pentylpiperazine-1-carboxylate.
What is the SMILES notation for benzyl 4-pentylpiperazine-1-carboxylate?
The canonical SMILES for benzyl 4-pentylpiperazine-1-carboxylate is CCCCCN1CCN(C(=O)OCc2ccccc2)CC1.
What is the InChIKey of benzyl 4-pentylpiperazine-1-carboxylate?
The InChIKey is ZRKHUZNMAMGUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-2-3-7-10-18-11-13-19(14-12-18)17(20)21-15-16-8-5-4-6-9-16/h4-6,8-9H,2-3,7,10-15H2,1H3.
What are the key properties of benzyl 4-pentylpiperazine-1-carboxylate?
benzyl 4-pentylpiperazine-1-carboxylate has a molecular weight of 290.41 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-pentylpiperazine-1-carboxylate is sourced from PubChem (CID 20795377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).