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

C19H32N4O — CID 111751952

IUPAC1-[3-(1-benzylpiperidin-4-yl)oxypropyl]-2-propylguanidine
SMILESCCC/N=C(\N)NCCCOC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H32N4O/c1-2-11-21-19(20)22-12-6-15-24-18-9-13-23(14-10-18)16-17-7-4-3-5-8-17/h3-5,7-8,18H,2,6,9-16H2,1H3,(H3,20,21,22)
InChIKeyXQESYDHZPZYIJO-UHFFFAOYSA-N
MW332.49 g/mol
LogP2.37
Rot. Bonds9

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

1-[3-(1-benzylpiperidin-4-yl)oxypropyl]-2-propylguanidine (PubChem CID 111751952) has the molecular formula C19H32N4O and a molecular weight of 332.49 g/mol. Its IUPAC name is 1-[3-(1-benzylpiperidin-4-yl)oxypropyl]-2-propylguanidine.

Molecular Properties

Compound Name1-[3-(1-benzylpiperidin-4-yl)oxypropyl]-2-propylguanidine
PubChem CID111751952
Molecular FormulaC19H32N4O
Molecular Weight332.49 g/mol
Exact Mass332.26
IUPAC Name1-[3-(1-benzylpiperidin-4-yl)oxypropyl]-2-propylguanidine
SMILESCCC/N=C(\N)NCCCOC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H32N4O/c1-2-11-21-19(20)22-12-6-15-24-18-9-13-23(14-10-18)16-17-7-4-3-5-8-17/h3-5,7-8,18H,2,6,9-16H2,1H3,(H3,20,21,22)
InChIKeyXQESYDHZPZYIJO-UHFFFAOYSA-N
XLogP2.37
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 52.37
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

1-[3-(1-benzylpiperidin-4-yl)oxypropyl]-2-[(3,4-dimethoxyphenyl)methyl]guanidine;hydroiodide
CID 111751943
2-[3-(1-benzylpiperidin-4-yl)oxypropyl]guanidine
CID 111751948
2-[3-(1-benzylpiperidin-4-yl)oxypropyl]-1,3-diethylguanidine
CID 111752012
2-[3-(1-benzylpiperidin-4-yl)oxypropyl]-1,1-diethylguanidine
CID 111751982
2-[3-(1-benzylpiperidin-4-yl)oxypropyl]-1-(3,4-dimethoxyphenyl)guanidine
CID 111751974
2-amino-N-[3-(1-benzylpiperidin-4-yl)oxypropyl]-2-phenylacetamide;dihydrochloride
CID 119897800
1-[3-(1-benzylpiperidin-4-yl)oxypropyl]-3-(3-methoxypropyl)-2-methylguanidine;hydroiodide
CID 111966626
1-[2-(4-benzylpiperazin-1-yl)ethyl]-2-butylguanidine
CID 111029614
2-[4-(4-benzylpiperazin-1-yl)butyl]-1-butylguanidine;hydroiodide
CID 111066778
2-[3-(1-benzylpiperidin-4-yl)oxypropyl]-1-cyclopropyl-1-methylguanidine
CID 110031013
1-[2-(4-benzylpiperazin-1-yl)ethyl]-2-butylguanidine;hydroiodide
CID 111029613
2-amino-N-[3-(1-benzylpiperidin-4-yl)oxypropyl]-2-phenylpropanamide;dihydrochloride
CID 120597388

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-benzylpiperidin-4-yl)oxypropyl]-2-propylguanidine?
The IUPAC name of 1-[3-(1-benzylpiperidin-4-yl)oxypropyl]-2-propylguanidine (CID 111751952) is 1-[3-(1-benzylpiperidin-4-yl)oxypropyl]-2-propylguanidine.
What is the SMILES notation for 1-[3-(1-benzylpiperidin-4-yl)oxypropyl]-2-propylguanidine?
The canonical SMILES for 1-[3-(1-benzylpiperidin-4-yl)oxypropyl]-2-propylguanidine is CCC/N=C(\N)NCCCOC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-[3-(1-benzylpiperidin-4-yl)oxypropyl]-2-propylguanidine?
The InChIKey is XQESYDHZPZYIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O/c1-2-11-21-19(20)22-12-6-15-24-18-9-13-23(14-10-18)16-17-7-4-3-5-8-17/h3-5,7-8,18H,2,6,9-16H2,1H3,(H3,20,21,22).
What are the key properties of 1-[3-(1-benzylpiperidin-4-yl)oxypropyl]-2-propylguanidine?
1-[3-(1-benzylpiperidin-4-yl)oxypropyl]-2-propylguanidine has a molecular weight of 332.49 g/mol, XLogP of 2.37, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-benzylpiperidin-4-yl)oxypropyl]-2-propylguanidine is sourced from PubChem (CID 111751952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).