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

C20H32N4O — CID 110031013

IUPAC2-[3-(1-benzylpiperidin-4-yl)oxypropyl]-1-cyclopropyl-1-methylguanidine
SMILESCN(/C(N)=N/CCCOC1CCN(Cc2ccccc2)CC1)C1CC1
InChIInChI=1S/C20H32N4O/c1-23(18-8-9-18)20(21)22-12-5-15-25-19-10-13-24(14-11-19)16-17-6-3-2-4-7-17/h2-4,6-7,18-19H,5,8-16H2,1H3,(H2,21,22)
InChIKeyAHERIQWFIFSSJM-UHFFFAOYSA-N
MW344.50 g/mol
LogP2.47
Rot. Bonds8

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

2-[3-(1-benzylpiperidin-4-yl)oxypropyl]-1-cyclopropyl-1-methylguanidine (PubChem CID 110031013) has the molecular formula C20H32N4O and a molecular weight of 344.50 g/mol. Its IUPAC name is 2-[3-(1-benzylpiperidin-4-yl)oxypropyl]-1-cyclopropyl-1-methylguanidine.

Molecular Properties

Compound Name2-[3-(1-benzylpiperidin-4-yl)oxypropyl]-1-cyclopropyl-1-methylguanidine
PubChem CID110031013
Molecular FormulaC20H32N4O
Molecular Weight344.50 g/mol
Exact Mass344.26
IUPAC Name2-[3-(1-benzylpiperidin-4-yl)oxypropyl]-1-cyclopropyl-1-methylguanidine
SMILESCN(/C(N)=N/CCCOC1CCN(Cc2ccccc2)CC1)C1CC1
InChIInChI=1S/C20H32N4O/c1-23(18-8-9-18)20(21)22-12-5-15-25-19-10-13-24(14-11-19)16-17-6-3-2-4-7-17/h2-4,6-7,18-19H,5,8-16H2,1H3,(H2,21,22)
InChIKeyAHERIQWFIFSSJM-UHFFFAOYSA-N
XLogP2.47
TPSA54.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 52.47
H-Bond Donors ≤ 51
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]guanidine
CID 111751948
2-[3-(1-benzylpiperidin-4-yl)oxypropyl]-1,3-diethylguanidine
CID 111752012
N'-[3-(1-benzylpiperidin-4-yl)oxypropyl]thiomorpholine-4-carboximidamide
CID 111751994
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
1-cyclopropyl-1-methyl-2-[3-(1-phenylethoxy)propyl]guanidine;hydroiodide
CID 110029623
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
1-cyclopropyl-1-methyl-2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 110029615

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-benzylpiperidin-4-yl)oxypropyl]-1-cyclopropyl-1-methylguanidine?
The IUPAC name of 2-[3-(1-benzylpiperidin-4-yl)oxypropyl]-1-cyclopropyl-1-methylguanidine (CID 110031013) is 2-[3-(1-benzylpiperidin-4-yl)oxypropyl]-1-cyclopropyl-1-methylguanidine.
What is the SMILES notation for 2-[3-(1-benzylpiperidin-4-yl)oxypropyl]-1-cyclopropyl-1-methylguanidine?
The canonical SMILES for 2-[3-(1-benzylpiperidin-4-yl)oxypropyl]-1-cyclopropyl-1-methylguanidine is CN(/C(N)=N/CCCOC1CCN(Cc2ccccc2)CC1)C1CC1.
What is the InChIKey of 2-[3-(1-benzylpiperidin-4-yl)oxypropyl]-1-cyclopropyl-1-methylguanidine?
The InChIKey is AHERIQWFIFSSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O/c1-23(18-8-9-18)20(21)22-12-5-15-25-19-10-13-24(14-11-19)16-17-6-3-2-4-7-17/h2-4,6-7,18-19H,5,8-16H2,1H3,(H2,21,22).
What are the key properties of 2-[3-(1-benzylpiperidin-4-yl)oxypropyl]-1-cyclopropyl-1-methylguanidine?
2-[3-(1-benzylpiperidin-4-yl)oxypropyl]-1-cyclopropyl-1-methylguanidine has a molecular weight of 344.50 g/mol, XLogP of 2.47, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-benzylpiperidin-4-yl)oxypropyl]-1-cyclopropyl-1-methylguanidine is sourced from PubChem (CID 110031013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).