2-methyl-1-[3-(4-methylpiperidin-1-yl)propyl]-3-(1H-pyrazol-5-ylmethyl)guanidine

C15H28N6 — CID 111386644

IUPAC2-methyl-1-[3-(4-methylpiperidin-1-yl)propyl]-3-(1H-pyrazol-5-ylmethyl)guanidine
SMILESC/N=C(/NCCCN1CCC(C)CC1)NCc1ccn[nH]1
InChIInChI=1S/C15H28N6/c1-13-5-10-21(11-6-13)9-3-7-17-15(16-2)18-12-14-4-8-19-20-14/h4,8,13H,3,5-7,9-12H2,1-2H3,(H,19,20)(H2,16,17,18)
InChIKeyNRWPQWNNNVKWIK-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.20
Rot. Bonds6

About 2-methyl-1-[3-(4-methylpiperidin-1-yl)propyl]-3-(1H-pyrazol-5-ylmethyl)guanidine

2-methyl-1-[3-(4-methylpiperidin-1-yl)propyl]-3-(1H-pyrazol-5-ylmethyl)guanidine (PubChem CID 111386644) has the molecular formula C15H28N6 and a molecular weight of 292.43 g/mol. Its IUPAC name is 2-methyl-1-[3-(4-methylpiperidin-1-yl)propyl]-3-(1H-pyrazol-5-ylmethyl)guanidine.

Molecular Properties

Compound Name2-methyl-1-[3-(4-methylpiperidin-1-yl)propyl]-3-(1H-pyrazol-5-ylmethyl)guanidine
PubChem CID111386644
Molecular FormulaC15H28N6
Molecular Weight292.43 g/mol
Exact Mass292.24
IUPAC Name2-methyl-1-[3-(4-methylpiperidin-1-yl)propyl]-3-(1H-pyrazol-5-ylmethyl)guanidine
SMILESC/N=C(/NCCCN1CCC(C)CC1)NCc1ccn[nH]1
InChIInChI=1S/C15H28N6/c1-13-5-10-21(11-6-13)9-3-7-17-15(16-2)18-12-14-4-8-19-20-14/h4,8,13H,3,5-7,9-12H2,1-2H3,(H,19,20)(H2,16,17,18)
InChIKeyNRWPQWNNNVKWIK-UHFFFAOYSA-N
XLogP1.20
TPSA68.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1-[3-(4-methylpiperidin-1-yl)propyl]-3-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]guanidine;hydroiodide
CID 111797418
2-methyl-1-[3-(4-methylpiperidin-1-yl)propyl]-3-[(4-methylsulfonylphenyl)methyl]guanidine
CID 111387070
2-methyl-1-[3-(4-methylpiperidin-1-yl)propyl]-3-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine
CID 111518827
2-methyl-1-[(3-methylphenyl)methyl]-3-[3-(4-methylpiperidin-1-yl)propyl]guanidine
CID 111387451
2-methyl-1-[3-(4-methylpiperidin-1-yl)propyl]-3-[(4-methylsulfonylphenyl)methyl]guanidine;hydroiodide
CID 111387069
2-methyl-1-[3-(4-methylpiperidin-1-yl)propyl]-3-[4-(pyridin-2-ylamino)butyl]guanidine
CID 111387193
1-[(4-cyanophenyl)methyl]-2-methyl-3-[3-(4-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111387057
2-methyl-1-[3-(4-methylpiperidin-1-yl)propyl]-3-[3-(4-methylpyrazol-1-yl)propyl]guanidine
CID 111388182
2-methyl-1-[3-(4-methylpiperidin-1-yl)propyl]-3-(2-pyrazol-1-ylethyl)guanidine
CID 111388052
1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2-methyl-3-[3-(4-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111387378
2-methyl-N-[2-[[N'-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]carbamimidoyl]amino]ethyl]propanamide
CID 111387677
2-methyl-1-[3-(4-methylpiperidin-1-yl)propyl]-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine;hydroiodide
CID 111786688

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[3-(4-methylpiperidin-1-yl)propyl]-3-(1H-pyrazol-5-ylmethyl)guanidine?
The IUPAC name of 2-methyl-1-[3-(4-methylpiperidin-1-yl)propyl]-3-(1H-pyrazol-5-ylmethyl)guanidine (CID 111386644) is 2-methyl-1-[3-(4-methylpiperidin-1-yl)propyl]-3-(1H-pyrazol-5-ylmethyl)guanidine.
What is the SMILES notation for 2-methyl-1-[3-(4-methylpiperidin-1-yl)propyl]-3-(1H-pyrazol-5-ylmethyl)guanidine?
The canonical SMILES for 2-methyl-1-[3-(4-methylpiperidin-1-yl)propyl]-3-(1H-pyrazol-5-ylmethyl)guanidine is C/N=C(/NCCCN1CCC(C)CC1)NCc1ccn[nH]1.
What is the InChIKey of 2-methyl-1-[3-(4-methylpiperidin-1-yl)propyl]-3-(1H-pyrazol-5-ylmethyl)guanidine?
The InChIKey is NRWPQWNNNVKWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N6/c1-13-5-10-21(11-6-13)9-3-7-17-15(16-2)18-12-14-4-8-19-20-14/h4,8,13H,3,5-7,9-12H2,1-2H3,(H,19,20)(H2,16,17,18).
What are the key properties of 2-methyl-1-[3-(4-methylpiperidin-1-yl)propyl]-3-(1H-pyrazol-5-ylmethyl)guanidine?
2-methyl-1-[3-(4-methylpiperidin-1-yl)propyl]-3-(1H-pyrazol-5-ylmethyl)guanidine has a molecular weight of 292.43 g/mol, XLogP of 1.20, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[3-(4-methylpiperidin-1-yl)propyl]-3-(1H-pyrazol-5-ylmethyl)guanidine is sourced from PubChem (CID 111386644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).