1-(1-benzylpiperidin-4-yl)-2-(pyridin-2-ylmethyl)guanidine

C19H25N5 — CID 119117109

IUPAC1-(1-benzylpiperidin-4-yl)-2-(pyridin-2-ylmethyl)guanidine
SMILESN/C(=N\Cc1ccccn1)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H25N5/c20-19(22-14-18-8-4-5-11-21-18)23-17-9-12-24(13-10-17)15-16-6-2-1-3-7-16/h1-8,11,17H,9-10,12-15H2,(H3,20,22,23)
InChIKeyRWZKYBKLHNTFCK-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.15
Rot. Bonds5

About 1-(1-benzylpiperidin-4-yl)-2-(pyridin-2-ylmethyl)guanidine

1-(1-benzylpiperidin-4-yl)-2-(pyridin-2-ylmethyl)guanidine (PubChem CID 119117109) has the molecular formula C19H25N5 and a molecular weight of 323.44 g/mol. Its IUPAC name is 1-(1-benzylpiperidin-4-yl)-2-(pyridin-2-ylmethyl)guanidine.

Molecular Properties

Compound Name1-(1-benzylpiperidin-4-yl)-2-(pyridin-2-ylmethyl)guanidine
PubChem CID119117109
Molecular FormulaC19H25N5
Molecular Weight323.44 g/mol
Exact Mass323.21
IUPAC Name1-(1-benzylpiperidin-4-yl)-2-(pyridin-2-ylmethyl)guanidine
SMILESN/C(=N\Cc1ccccn1)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H25N5/c20-19(22-14-18-8-4-5-11-21-18)23-17-9-12-24(13-10-17)15-16-6-2-1-3-7-16/h1-8,11,17H,9-10,12-15H2,(H3,20,22,23)
InChIKeyRWZKYBKLHNTFCK-UHFFFAOYSA-N
XLogP2.15
TPSA66.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[(3R)-1-methylpyrrolidin-3-yl]-2-(pyridin-2-ylmethyl)guanidine
CID 67208588
1-(1-benzylpiperidin-4-yl)-2-[(2-methyl-1,3-oxazol-5-yl)methyl]guanidine
CID 122098796
1-(1-benzylpiperidin-4-yl)-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]guanidine
CID 119148060
2-[(1-benzylpyrazol-3-yl)methyl]-1-cyclopentylguanidine;hydroiodide
CID 120913603
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]cyclopropanecarboxamide
CID 37476276
[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea;dihydrochloride
CID 174440638
N-(1-benzylpiperidin-4-yl)cyclobutanecarboxamide
CID 2729529
1-benzyl-N-cyclopentylpiperidine-4-carboxamide
CID 2186968
1-cyclopentyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]thiourea
CID 100572605
1-cyclobutyl-2-methyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]guanidine;hydroiodide
CID 119153797
1-(1-benzylpiperidin-4-yl)-2-(2-phenylcyclopropyl)guanidine;hydroiodide
CID 119118310
2-amino-N-(1-benzylpiperidin-4-yl)pyridine-3-carboxamide
CID 110451976

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpiperidin-4-yl)-2-(pyridin-2-ylmethyl)guanidine?
The IUPAC name of 1-(1-benzylpiperidin-4-yl)-2-(pyridin-2-ylmethyl)guanidine (CID 119117109) is 1-(1-benzylpiperidin-4-yl)-2-(pyridin-2-ylmethyl)guanidine.
What is the SMILES notation for 1-(1-benzylpiperidin-4-yl)-2-(pyridin-2-ylmethyl)guanidine?
The canonical SMILES for 1-(1-benzylpiperidin-4-yl)-2-(pyridin-2-ylmethyl)guanidine is N/C(=N\Cc1ccccn1)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-(1-benzylpiperidin-4-yl)-2-(pyridin-2-ylmethyl)guanidine?
The InChIKey is RWZKYBKLHNTFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5/c20-19(22-14-18-8-4-5-11-21-18)23-17-9-12-24(13-10-17)15-16-6-2-1-3-7-16/h1-8,11,17H,9-10,12-15H2,(H3,20,22,23).
What are the key properties of 1-(1-benzylpiperidin-4-yl)-2-(pyridin-2-ylmethyl)guanidine?
1-(1-benzylpiperidin-4-yl)-2-(pyridin-2-ylmethyl)guanidine has a molecular weight of 323.44 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpiperidin-4-yl)-2-(pyridin-2-ylmethyl)guanidine is sourced from PubChem (CID 119117109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).