N-benzyl-2-piperazin-1-ylethanamine

C13H21N3 — CID 14900561

IUPACN-benzyl-2-piperazin-1-ylethanamine
SMILESc1ccc(CNCCN2CCNCC2)cc1
InChIInChI=1S/C13H21N3/c1-2-4-13(5-3-1)12-15-8-11-16-9-6-14-7-10-16/h1-5,14-15H,6-12H2
InChIKeyUGBYPUZLFMUDAH-UHFFFAOYSA-N
MW219.33 g/mol
LogP0.68
Rot. Bonds5

About N-benzyl-2-piperazin-1-ylethanamine

N-benzyl-2-piperazin-1-ylethanamine (PubChem CID 14900561) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is N-benzyl-2-piperazin-1-ylethanamine.

Molecular Properties

Compound NameN-benzyl-2-piperazin-1-ylethanamine
PubChem CID14900561
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC NameN-benzyl-2-piperazin-1-ylethanamine
SMILESc1ccc(CNCCN2CCNCC2)cc1
InChIInChI=1S/C13H21N3/c1-2-4-13(5-3-1)12-15-8-11-16-9-6-14-7-10-16/h1-5,14-15H,6-12H2
InChIKeyUGBYPUZLFMUDAH-UHFFFAOYSA-N
XLogP0.68
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2-(1,4-diazepan-1-yl)ethanamine
CID 62833127
N-[(2-chlorophenyl)methyl]-2-piperazin-1-ylethanamine
CID 18778415
bis(1-(2-phenylethyl)piperazine);dihydrochloride
CID 102602644
N-benzyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine
CID 62575078
1-phenyl-N-(2-piperazin-1-ylethyl)methanesulfonamide
CID 43599791
1-phenyl-N-(2-piperazin-1-ylethyl)propan-2-amine
CID 21152799
1-benzyl-3-(3-piperazin-1-ylpropyl)urea
CID 107653368
1-(8-phenyloctyl)-1,4,7,10-tetrazacyclododecane
CID 137439180
1-(2-phenylethyl)-1,4,8,11-tetrazacyclotetradecane
CID 14869439
N-benzyl-6-piperidin-1-ylhexan-1-amine
CID 54404338
N-[(5-ethylthiophen-2-yl)methyl]-2-piperazin-1-ylethanamine
CID 114137158
azane;1-benzylpiperazine
CID 174866973

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-piperazin-1-ylethanamine?
The IUPAC name of N-benzyl-2-piperazin-1-ylethanamine (CID 14900561) is N-benzyl-2-piperazin-1-ylethanamine.
What is the SMILES notation for N-benzyl-2-piperazin-1-ylethanamine?
The canonical SMILES for N-benzyl-2-piperazin-1-ylethanamine is c1ccc(CNCCN2CCNCC2)cc1.
What is the InChIKey of N-benzyl-2-piperazin-1-ylethanamine?
The InChIKey is UGBYPUZLFMUDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-2-4-13(5-3-1)12-15-8-11-16-9-6-14-7-10-16/h1-5,14-15H,6-12H2.
What are the key properties of N-benzyl-2-piperazin-1-ylethanamine?
N-benzyl-2-piperazin-1-ylethanamine has a molecular weight of 219.33 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-piperazin-1-ylethanamine is sourced from PubChem (CID 14900561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).