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

C24H34N4 — CID 11740410

IUPAC1-[2-(1-benzylpiperidin-4-yl)ethyl]-3-phenyl-2-propylguanidine
SMILESCCC/N=C(\NCCC1CCN(Cc2ccccc2)CC1)Nc1ccccc1
InChIInChI=1S/C24H34N4/c1-2-16-25-24(27-23-11-7-4-8-12-23)26-17-13-21-14-18-28(19-15-21)20-22-9-5-3-6-10-22/h3-12,21H,2,13-20H2,1H3,(H2,25,26,27)
InChIKeyRRTIINMIKBSCAH-UHFFFAOYSA-N
MW378.56 g/mol
LogP4.76
Rot. Bonds8

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

1-[2-(1-benzylpiperidin-4-yl)ethyl]-3-phenyl-2-propylguanidine (PubChem CID 11740410) has the molecular formula C24H34N4 and a molecular weight of 378.56 g/mol. Its IUPAC name is 1-[2-(1-benzylpiperidin-4-yl)ethyl]-3-phenyl-2-propylguanidine.

Molecular Properties

Compound Name1-[2-(1-benzylpiperidin-4-yl)ethyl]-3-phenyl-2-propylguanidine
PubChem CID11740410
Molecular FormulaC24H34N4
Molecular Weight378.56 g/mol
Exact Mass378.28
IUPAC Name1-[2-(1-benzylpiperidin-4-yl)ethyl]-3-phenyl-2-propylguanidine
SMILESCCC/N=C(\NCCC1CCN(Cc2ccccc2)CC1)Nc1ccccc1
InChIInChI=1S/C24H34N4/c1-2-16-25-24(27-23-11-7-4-8-12-23)26-17-13-21-14-18-28(19-15-21)20-22-9-5-3-6-10-22/h3-12,21H,2,13-20H2,1H3,(H2,25,26,27)
InChIKeyRRTIINMIKBSCAH-UHFFFAOYSA-N
XLogP4.76
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.56
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(1-benzylpiperidin-4-yl)ethyl]-3-pyridin-4-ylthiourea
CID 10066740
1-[2-(1-benzylpiperidin-4-yl)ethyl]-3-pyridin-3-ylthiourea
CID 10316141
1-(1-benzylpiperidin-4-yl)-2-[2-(tert-butylamino)ethyl]-3-ethylguanidine;hydroiodide
CID 111759420
N-[2-[[[(1-benzylpiperidin-4-yl)amino]-(ethylamino)methylidene]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide
CID 110986633
1-benzyl-3-[2-(1-ethylpiperidin-4-yl)ethyl]-2-methylguanidine;hydroiodide
CID 111779132
1-[2-(1-benzylpiperidin-4-yl)ethyl]-3-(2-fluorophenyl)thiourea
CID 10044752
1-(1-benzylpiperidin-4-yl)-3-ethyl-2-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 110987259
N-benzyl-2-(1-benzylpiperidin-4-yl)ethanamine;hydrochloride
CID 14096838
1-(1-benzyl-2-methylpiperidin-4-yl)-3-[2-(1-ethylpiperidin-4-yl)ethyl]-2-methylguanidine
CID 109459040
1-(1-benzylpiperidin-4-yl)-3-ethyl-2-[(1-ethylpyrrolidin-3-yl)methyl]guanidine
CID 110986774
1-benzyl-N-methylpiperidin-4-amine
CID 4136128
2-[2-(4-benzylpiperazin-1-yl)ethyl]-1,3-diethylguanidine;hydrobromide
CID 51127623

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-benzylpiperidin-4-yl)ethyl]-3-phenyl-2-propylguanidine?
The IUPAC name of 1-[2-(1-benzylpiperidin-4-yl)ethyl]-3-phenyl-2-propylguanidine (CID 11740410) is 1-[2-(1-benzylpiperidin-4-yl)ethyl]-3-phenyl-2-propylguanidine.
What is the SMILES notation for 1-[2-(1-benzylpiperidin-4-yl)ethyl]-3-phenyl-2-propylguanidine?
The canonical SMILES for 1-[2-(1-benzylpiperidin-4-yl)ethyl]-3-phenyl-2-propylguanidine is CCC/N=C(\NCCC1CCN(Cc2ccccc2)CC1)Nc1ccccc1.
What is the InChIKey of 1-[2-(1-benzylpiperidin-4-yl)ethyl]-3-phenyl-2-propylguanidine?
The InChIKey is RRTIINMIKBSCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4/c1-2-16-25-24(27-23-11-7-4-8-12-23)26-17-13-21-14-18-28(19-15-21)20-22-9-5-3-6-10-22/h3-12,21H,2,13-20H2,1H3,(H2,25,26,27).
What are the key properties of 1-[2-(1-benzylpiperidin-4-yl)ethyl]-3-phenyl-2-propylguanidine?
1-[2-(1-benzylpiperidin-4-yl)ethyl]-3-phenyl-2-propylguanidine has a molecular weight of 378.56 g/mol, XLogP of 4.76, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-benzylpiperidin-4-yl)ethyl]-3-phenyl-2-propylguanidine is sourced from PubChem (CID 11740410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).