2-[3-(1-benzylpiperidin-4-yl)oxypropyl]guanidine

C16H26N4O — CID 111751948

IUPAC2-[3-(1-benzylpiperidin-4-yl)oxypropyl]guanidine
SMILESNC(N)=NCCCOC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H26N4O/c17-16(18)19-9-4-12-21-15-7-10-20(11-8-15)13-14-5-2-1-3-6-14/h1-3,5-6,15H,4,7-13H2,(H4,17,18,19)
InChIKeyYMEWGEJCDBEHEY-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.33
Rot. Bonds7

About 2-[3-(1-benzylpiperidin-4-yl)oxypropyl]guanidine

2-[3-(1-benzylpiperidin-4-yl)oxypropyl]guanidine (PubChem CID 111751948) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[3-(1-benzylpiperidin-4-yl)oxypropyl]guanidine.

Molecular Properties

Compound Name2-[3-(1-benzylpiperidin-4-yl)oxypropyl]guanidine
PubChem CID111751948
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name2-[3-(1-benzylpiperidin-4-yl)oxypropyl]guanidine
SMILESNC(N)=NCCCOC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H26N4O/c17-16(18)19-9-4-12-21-15-7-10-20(11-8-15)13-14-5-2-1-3-6-14/h1-3,5-6,15H,4,7-13H2,(H4,17,18,19)
InChIKeyYMEWGEJCDBEHEY-UHFFFAOYSA-N
XLogP1.33
TPSA76.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[3-(1-benzylpiperidin-4-yl)oxypropyl]-1,1-diethylguanidine
CID 111751982
2-[3-(1-benzylpiperidin-4-yl)oxypropyl]-1-cyclopropyl-1-methylguanidine
CID 110031013
N'-[3-(1-benzylpiperidin-4-yl)oxypropyl]thiomorpholine-4-carboximidamide
CID 111751994
2-[3-(1-benzylpiperidin-4-yl)oxypropyl]-1,3-diethylguanidine
CID 111752012
N'-[3-(1-benzylpiperidin-4-yl)oxypropyl]-3-methylpiperidine-1-carboximidamide
CID 111752022
1-[3-(1-benzylpiperidin-4-yl)oxypropyl]-2-propylguanidine
CID 111751952
2-[3-(1-benzylpiperidin-4-yl)oxypropyl]-1-(3,4-dimethoxyphenyl)guanidine
CID 111751974
3-(1-benzylpiperidin-4-yl)oxypropanamide
CID 2779233
2-[3-(1-benzylpiperidin-4-yl)oxypropyl]-1-ethyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 111999114
N-[2-[[N'-[3-(1-benzylpiperidin-4-yl)oxypropyl]-N-ethylcarbamimidoyl]amino]ethyl]-2-methylpropanamide
CID 111997877
2-[3-(1-benzylpiperidin-4-yl)oxypropyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
CID 111967612
1-benzyl-4-phenylmethoxypiperidine
CID 15892976

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-benzylpiperidin-4-yl)oxypropyl]guanidine?
The IUPAC name of 2-[3-(1-benzylpiperidin-4-yl)oxypropyl]guanidine (CID 111751948) is 2-[3-(1-benzylpiperidin-4-yl)oxypropyl]guanidine.
What is the SMILES notation for 2-[3-(1-benzylpiperidin-4-yl)oxypropyl]guanidine?
The canonical SMILES for 2-[3-(1-benzylpiperidin-4-yl)oxypropyl]guanidine is NC(N)=NCCCOC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 2-[3-(1-benzylpiperidin-4-yl)oxypropyl]guanidine?
The InChIKey is YMEWGEJCDBEHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c17-16(18)19-9-4-12-21-15-7-10-20(11-8-15)13-14-5-2-1-3-6-14/h1-3,5-6,15H,4,7-13H2,(H4,17,18,19).
What are the key properties of 2-[3-(1-benzylpiperidin-4-yl)oxypropyl]guanidine?
2-[3-(1-benzylpiperidin-4-yl)oxypropyl]guanidine has a molecular weight of 290.41 g/mol, XLogP of 1.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-benzylpiperidin-4-yl)oxypropyl]guanidine is sourced from PubChem (CID 111751948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).