1-amino-3-(1-benzylpiperidin-3-yl)-2-methylguanidine

C14H23N5 — CID 116510957

IUPAC1-amino-3-(1-benzylpiperidin-3-yl)-2-methylguanidine
SMILESC/N=C(\NN)NC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C14H23N5/c1-16-14(18-15)17-13-8-5-9-19(11-13)10-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11,15H2,1H3,(H2,16,17,18)
InChIKeyLTCWCSYJTRIWAZ-UHFFFAOYSA-N
MW261.37 g/mol
LogP0.69
Rot. Bonds3

About 1-amino-3-(1-benzylpiperidin-3-yl)-2-methylguanidine

1-amino-3-(1-benzylpiperidin-3-yl)-2-methylguanidine (PubChem CID 116510957) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-amino-3-(1-benzylpiperidin-3-yl)-2-methylguanidine.

Molecular Properties

Compound Name1-amino-3-(1-benzylpiperidin-3-yl)-2-methylguanidine
PubChem CID116510957
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name1-amino-3-(1-benzylpiperidin-3-yl)-2-methylguanidine
SMILESC/N=C(\NN)NC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C14H23N5/c1-16-14(18-15)17-13-8-5-9-19(11-13)10-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11,15H2,1H3,(H2,16,17,18)
InChIKeyLTCWCSYJTRIWAZ-UHFFFAOYSA-N
XLogP0.69
TPSA65.68 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(1-benzylpyrrolidin-3-yl)-3-cyclobutyl-2-methylguanidine
CID 119146341
1-(1-benzylpiperidin-3-yl)-2-methylguanidine;hydroiodide
CID 84583445
N-[(3S)-1-benzylpiperidin-3-yl]acetamide
CID 58526543
1-(1-benzylpiperidin-3-yl)-3-(2,3-dihydro-1,4-dioxin-5-ylmethyl)-2-methylguanidine;hydroiodide
CID 75495074
1-(1-benzylpiperidin-3-yl)-3-ethyl-2-(2-hydroxyethyl)guanidine
CID 111991341
1-(1-benzylpiperidin-3-yl)-3-cyclobutylurea
CID 115617829
(3R)-1-benzyl-N-methylpiperidin-3-amine;sulfane
CID 162106706
(2S)-2-amino-N-(1-benzylpiperidin-3-yl)butanamide
CID 79022762
2-[3-[[[N-(1-benzylpiperidin-3-yl)-N'-methylcarbamimidoyl]amino]methyl]phenoxy]acetamide;hydroiodide
CID 111992838
1-(1-benzylpiperidin-3-yl)-2-methyl-3-[2-(3-methyl-4-pyridinyl)ethyl]guanidine
CID 109405215
1-(1-benzylpiperidin-3-yl)-2-methyl-3-[(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]guanidine;hydroiodide
CID 119158378
N-(1-benzylpiperidin-3-yl)butanamide
CID 60756097

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(1-benzylpiperidin-3-yl)-2-methylguanidine?
The IUPAC name of 1-amino-3-(1-benzylpiperidin-3-yl)-2-methylguanidine (CID 116510957) is 1-amino-3-(1-benzylpiperidin-3-yl)-2-methylguanidine.
What is the SMILES notation for 1-amino-3-(1-benzylpiperidin-3-yl)-2-methylguanidine?
The canonical SMILES for 1-amino-3-(1-benzylpiperidin-3-yl)-2-methylguanidine is C/N=C(\NN)NC1CCCN(Cc2ccccc2)C1.
What is the InChIKey of 1-amino-3-(1-benzylpiperidin-3-yl)-2-methylguanidine?
The InChIKey is LTCWCSYJTRIWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-16-14(18-15)17-13-8-5-9-19(11-13)10-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11,15H2,1H3,(H2,16,17,18).
What are the key properties of 1-amino-3-(1-benzylpiperidin-3-yl)-2-methylguanidine?
1-amino-3-(1-benzylpiperidin-3-yl)-2-methylguanidine has a molecular weight of 261.37 g/mol, XLogP of 0.69, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(1-benzylpiperidin-3-yl)-2-methylguanidine is sourced from PubChem (CID 116510957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).