1-(1-benzylpiperidin-4-yl)-2-[(2-methyl-1,3-oxazol-5-yl)methyl]guanidine

C18H25N5O — CID 122098796

IUPAC1-(1-benzylpiperidin-4-yl)-2-[(2-methyl-1,3-oxazol-5-yl)methyl]guanidine
SMILESCc1ncc(C/N=C(\N)NC2CCN(Cc3ccccc3)CC2)o1
InChIInChI=1S/C18H25N5O/c1-14-20-11-17(24-14)12-21-18(19)22-16-7-9-23(10-8-16)13-15-5-3-2-4-6-15/h2-6,11,16H,7-10,12-13H2,1H3,(H3,19,21,22)
InChIKeyACLKUBBYXUMZGV-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.05
Rot. Bonds5

About 1-(1-benzylpiperidin-4-yl)-2-[(2-methyl-1,3-oxazol-5-yl)methyl]guanidine

1-(1-benzylpiperidin-4-yl)-2-[(2-methyl-1,3-oxazol-5-yl)methyl]guanidine (PubChem CID 122098796) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-(1-benzylpiperidin-4-yl)-2-[(2-methyl-1,3-oxazol-5-yl)methyl]guanidine.

Molecular Properties

Compound Name1-(1-benzylpiperidin-4-yl)-2-[(2-methyl-1,3-oxazol-5-yl)methyl]guanidine
PubChem CID122098796
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name1-(1-benzylpiperidin-4-yl)-2-[(2-methyl-1,3-oxazol-5-yl)methyl]guanidine
SMILESCc1ncc(C/N=C(\N)NC2CCN(Cc3ccccc3)CC2)o1
InChIInChI=1S/C18H25N5O/c1-14-20-11-17(24-14)12-21-18(19)22-16-7-9-23(10-8-16)13-15-5-3-2-4-6-15/h2-6,11,16H,7-10,12-13H2,1H3,(H3,19,21,22)
InChIKeyACLKUBBYXUMZGV-UHFFFAOYSA-N
XLogP2.05
TPSA79.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(1-benzylpiperidin-4-yl)-2-(pyridin-2-ylmethyl)guanidine
CID 119117109
1-(1-benzylpiperidin-4-yl)-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]guanidine
CID 119148060
1-benzyl-N-methylpiperidin-4-amine
CID 4136128
2-benzyl-1-[(2-methyl-1,3-oxazol-5-yl)methyl]guanidine
CID 131227756
1-cyclopropyl-2-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]guanidine
CID 110915054
2-[(1-benzylpyrazol-3-yl)methyl]-1-cyclopentylguanidine;hydroiodide
CID 120913603
[1-[(2-phenyl-1,3-oxazol-5-yl)methyl]piperidin-4-yl]urea
CID 146138459
1-(1-benzylpiperidin-4-yl)-2-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine
CID 110985432
ethyl 2-[(1-benzylpiperidin-4-yl)amino]-2-oxoacetate
CID 60894842
1-(1-benzylpiperidin-4-yl)-3-cyclohexyl-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]guanidine;hydroiodide
CID 110957869
N-(1-benzylpiperidin-4-yl)-1-[(5-methylfuran-2-yl)methyl]aziridine-2-carboxamide
CID 3445666
3-(1-benzylpiperidin-4-yl)-2-ethyl-1,1-dimethylguanidine;hydroiodide
CID 111123648

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpiperidin-4-yl)-2-[(2-methyl-1,3-oxazol-5-yl)methyl]guanidine?
The IUPAC name of 1-(1-benzylpiperidin-4-yl)-2-[(2-methyl-1,3-oxazol-5-yl)methyl]guanidine (CID 122098796) is 1-(1-benzylpiperidin-4-yl)-2-[(2-methyl-1,3-oxazol-5-yl)methyl]guanidine.
What is the SMILES notation for 1-(1-benzylpiperidin-4-yl)-2-[(2-methyl-1,3-oxazol-5-yl)methyl]guanidine?
The canonical SMILES for 1-(1-benzylpiperidin-4-yl)-2-[(2-methyl-1,3-oxazol-5-yl)methyl]guanidine is Cc1ncc(C/N=C(\N)NC2CCN(Cc3ccccc3)CC2)o1.
What is the InChIKey of 1-(1-benzylpiperidin-4-yl)-2-[(2-methyl-1,3-oxazol-5-yl)methyl]guanidine?
The InChIKey is ACLKUBBYXUMZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-14-20-11-17(24-14)12-21-18(19)22-16-7-9-23(10-8-16)13-15-5-3-2-4-6-15/h2-6,11,16H,7-10,12-13H2,1H3,(H3,19,21,22).
What are the key properties of 1-(1-benzylpiperidin-4-yl)-2-[(2-methyl-1,3-oxazol-5-yl)methyl]guanidine?
1-(1-benzylpiperidin-4-yl)-2-[(2-methyl-1,3-oxazol-5-yl)methyl]guanidine has a molecular weight of 327.43 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpiperidin-4-yl)-2-[(2-methyl-1,3-oxazol-5-yl)methyl]guanidine is sourced from PubChem (CID 122098796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).