1,1,3,3-tetramethyl-2-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]guanidine

C16H30N6 — CID 120972925

IUPAC1,1,3,3-tetramethyl-2-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]guanidine
SMILESCN(C)C(=NC[C@@H]1CCCN(C)[C@H]1c1ccnn1C)N(C)C
InChIInChI=1S/C16H30N6/c1-19(2)16(20(3)4)17-12-13-8-7-11-21(5)15(13)14-9-10-18-22(14)6/h9-10,13,15H,7-8,11-12H2,1-6H3/t13-,15+/m0/s1
InChIKeyRRQLVKIAPSTTTB-DZGCQCFKSA-N
MW306.46 g/mol
LogP1.28
Rot. Bonds3

About 1,1,3,3-tetramethyl-2-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]guanidine

1,1,3,3-tetramethyl-2-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]guanidine (PubChem CID 120972925) has the molecular formula C16H30N6 and a molecular weight of 306.46 g/mol. Its IUPAC name is 1,1,3,3-tetramethyl-2-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]guanidine.

Molecular Properties

Compound Name1,1,3,3-tetramethyl-2-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]guanidine
PubChem CID120972925
Molecular FormulaC16H30N6
Molecular Weight306.46 g/mol
Exact Mass306.25
IUPAC Name1,1,3,3-tetramethyl-2-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]guanidine
SMILESCN(C)C(=NC[C@@H]1CCCN(C)[C@H]1c1ccnn1C)N(C)C
InChIInChI=1S/C16H30N6/c1-19(2)16(20(3)4)17-12-13-8-7-11-21(5)15(13)14-9-10-18-22(14)6/h9-10,13,15H,7-8,11-12H2,1-6H3/t13-,15+/m0/s1
InChIKeyRRQLVKIAPSTTTB-DZGCQCFKSA-N
XLogP1.28
TPSA39.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.46
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1,1,3,3-tetramethyl-2-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 120972934
2-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-1,1,3,3-tetramethylguanidine
CID 111814540
4-[methyl-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]amino]pyridine-2-carboxamide
CID 128981639
N'-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]azetidine-1-carboximidamide
CID 122096030
[5-[[methyl-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]amino]methyl]furan-2-yl]methanol
CID 128983856
1-(3-chloro-4-methoxyphenyl)-2-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]guanidine;hydroiodide
CID 120972946
2-imidazol-1-yl-N-methyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]ethanamine
CID 128987589
N,2-dimethyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]furan-3-carboxamide
CID 128984984
N,5-dimethyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
CID 128984975
5-cyclopropyl-N-methyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-1H-pyrazole-3-carboxamide
CID 128984638
N-methyl-6-[methyl-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]amino]pyridazine-3-carboxamide
CID 128981659
N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
CID 128989331

Frequently Asked Questions

What is the IUPAC name of 1,1,3,3-tetramethyl-2-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]guanidine?
The IUPAC name of 1,1,3,3-tetramethyl-2-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]guanidine (CID 120972925) is 1,1,3,3-tetramethyl-2-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]guanidine.
What is the SMILES notation for 1,1,3,3-tetramethyl-2-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]guanidine?
The canonical SMILES for 1,1,3,3-tetramethyl-2-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]guanidine is CN(C)C(=NC[C@@H]1CCCN(C)[C@H]1c1ccnn1C)N(C)C.
What is the InChIKey of 1,1,3,3-tetramethyl-2-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]guanidine?
The InChIKey is RRQLVKIAPSTTTB-DZGCQCFKSA-N. The full InChI is InChI=1S/C16H30N6/c1-19(2)16(20(3)4)17-12-13-8-7-11-21(5)15(13)14-9-10-18-22(14)6/h9-10,13,15H,7-8,11-12H2,1-6H3/t13-,15+/m0/s1.
What are the key properties of 1,1,3,3-tetramethyl-2-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]guanidine?
1,1,3,3-tetramethyl-2-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]guanidine has a molecular weight of 306.46 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3-tetramethyl-2-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]guanidine is sourced from PubChem (CID 120972925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).