1,1,2,3-tetramethyl-3-piperidin-4-ylguanidine

C10H22N4 — CID 22957260

IUPAC1,1,2,3-tetramethyl-3-piperidin-4-ylguanidine
SMILESC/N=C(\N(C)C)N(C)C1CCNCC1
InChIInChI=1S/C10H22N4/c1-11-10(13(2)3)14(4)9-5-7-12-8-6-9/h9,12H,5-8H2,1-4H3/b11-10+
InChIKeyPLDUDLQVBGMJGD-ZHACJKMWSA-N
MW198.31 g/mol
LogP0.22
Rot. Bonds1

About 1,1,2,3-tetramethyl-3-piperidin-4-ylguanidine

1,1,2,3-tetramethyl-3-piperidin-4-ylguanidine (PubChem CID 22957260) has the molecular formula C10H22N4 and a molecular weight of 198.31 g/mol. Its IUPAC name is 1,1,2,3-tetramethyl-3-piperidin-4-ylguanidine.

Molecular Properties

Compound Name1,1,2,3-tetramethyl-3-piperidin-4-ylguanidine
PubChem CID22957260
Molecular FormulaC10H22N4
Molecular Weight198.31 g/mol
Exact Mass198.18
IUPAC Name1,1,2,3-tetramethyl-3-piperidin-4-ylguanidine
SMILESC/N=C(\N(C)C)N(C)C1CCNCC1
InChIInChI=1S/C10H22N4/c1-11-10(13(2)3)14(4)9-5-7-12-8-6-9/h9,12H,5-8H2,1-4H3/b11-10+
InChIKeyPLDUDLQVBGMJGD-ZHACJKMWSA-N
XLogP0.22
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.22
H-Bond Donors ≤ 51
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-(4,5-dihydro-1H-imidazol-2-yl)-4-[1-(4,5-dihydro-1H-imidazol-2-yl)piperidin-4-yl]piperazine
CID 44313547
N,N'-di(propan-2-yl)piperidine-1-carboximidamide
CID 14423432
4-amino-N-(3-fluorobutan-2-ylimino)-N'-methylpiperidine-1-carboximidamide
CID 173670477
4-amino-N-(1-fluoroethylimino)-N'-methylpiperidine-1-carboximidamide
CID 173811901
1-piperidin-1-ium-1-ylidene-N,N'-di(propan-2-yl)methanediamine
CID 101490813
1,1,3,3-Tetramethyl-2-[2,5,6-tris[bis(dimethylamino)methylideneamino]-1,2,3,4,5,6-hexahydropyridin-1-ium-4-ylium-3-yl]guanidine
CID 138982106
N-butyl-3-pentyl-2,4-dihydro-1H-1,3,5-triazin-6-amine
CID 162405389
N'-methyl-N-pentyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109377120
N'-methyl-N-pentyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109377121
N'-methyl-N-(5,5,5-trifluoropentyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109377451
N-hexyl-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109378996
1-Ethyl-3-[2-(2-methylpiperidin-1-yl)ethyl]-2-(3,3,3-trifluoropropyl)guanidine
CID 109471111

Frequently Asked Questions

What is the IUPAC name of 1,1,2,3-tetramethyl-3-piperidin-4-ylguanidine?
The IUPAC name of 1,1,2,3-tetramethyl-3-piperidin-4-ylguanidine (CID 22957260) is 1,1,2,3-tetramethyl-3-piperidin-4-ylguanidine.
What is the SMILES notation for 1,1,2,3-tetramethyl-3-piperidin-4-ylguanidine?
The canonical SMILES for 1,1,2,3-tetramethyl-3-piperidin-4-ylguanidine is C/N=C(\N(C)C)N(C)C1CCNCC1.
What is the InChIKey of 1,1,2,3-tetramethyl-3-piperidin-4-ylguanidine?
The InChIKey is PLDUDLQVBGMJGD-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H22N4/c1-11-10(13(2)3)14(4)9-5-7-12-8-6-9/h9,12H,5-8H2,1-4H3/b11-10+.
What are the key properties of 1,1,2,3-tetramethyl-3-piperidin-4-ylguanidine?
1,1,2,3-tetramethyl-3-piperidin-4-ylguanidine has a molecular weight of 198.31 g/mol, XLogP of 0.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3-tetramethyl-3-piperidin-4-ylguanidine is sourced from PubChem (CID 22957260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).