2-methyl-1-[2-(3-methylpiperidin-1-yl)ethyl]-3-(1-phenylpyrrolidin-3-yl)guanidine

C20H33N5 — CID 111910209

IUPAC2-methyl-1-[2-(3-methylpiperidin-1-yl)ethyl]-3-(1-phenylpyrrolidin-3-yl)guanidine
SMILESC/N=C(\NCCN1CCCC(C)C1)NC1CCN(c2ccccc2)C1
InChIInChI=1S/C20H33N5/c1-17-7-6-12-24(15-17)14-11-22-20(21-2)23-18-10-13-25(16-18)19-8-4-3-5-9-19/h3-5,8-9,17-18H,6-7,10-16H2,1-2H3,(H2,21,22,23)
InChIKeyANHGFNTWEIMAEB-UHFFFAOYSA-N
MW343.52 g/mol
LogP2.16
Rot. Bonds5

About 2-methyl-1-[2-(3-methylpiperidin-1-yl)ethyl]-3-(1-phenylpyrrolidin-3-yl)guanidine

2-methyl-1-[2-(3-methylpiperidin-1-yl)ethyl]-3-(1-phenylpyrrolidin-3-yl)guanidine (PubChem CID 111910209) has the molecular formula C20H33N5 and a molecular weight of 343.52 g/mol. Its IUPAC name is 2-methyl-1-[2-(3-methylpiperidin-1-yl)ethyl]-3-(1-phenylpyrrolidin-3-yl)guanidine.

Molecular Properties

Compound Name2-methyl-1-[2-(3-methylpiperidin-1-yl)ethyl]-3-(1-phenylpyrrolidin-3-yl)guanidine
PubChem CID111910209
Molecular FormulaC20H33N5
Molecular Weight343.52 g/mol
Exact Mass343.27
IUPAC Name2-methyl-1-[2-(3-methylpiperidin-1-yl)ethyl]-3-(1-phenylpyrrolidin-3-yl)guanidine
SMILESC/N=C(\NCCN1CCCC(C)C1)NC1CCN(c2ccccc2)C1
InChIInChI=1S/C20H33N5/c1-17-7-6-12-24(15-17)14-11-22-20(21-2)23-18-10-13-25(16-18)19-8-4-3-5-9-19/h3-5,8-9,17-18H,6-7,10-16H2,1-2H3,(H2,21,22,23)
InChIKeyANHGFNTWEIMAEB-UHFFFAOYSA-N
XLogP2.16
TPSA42.90 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.52
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-methyl-1-(1-phenylpyrrolidin-3-yl)-3-(4-pyrrolidin-1-ylbutyl)guanidine
CID 111909657
1-[2-(4-ethylpiperazin-1-yl)ethyl]-2-methyl-3-(1-phenylpyrrolidin-3-yl)guanidine;hydroiodide
CID 111910478
2-methyl-1-[4-(4-methylpiperidin-1-yl)butyl]-3-(1-phenylpyrrolidin-3-yl)guanidine;hydroiodide
CID 111909654
1-[1-(3,5-dimethoxyphenyl)piperidin-4-yl]-2-methyl-3-[2-(3-methylpiperidin-1-yl)ethyl]guanidine;hydroiodide
CID 109387870
2-methyl-1-(3-methylbutyl)-3-(1-phenylpyrrolidin-3-yl)guanidine
CID 111910773
1-cyclopentyl-2-methyl-3-[2-(3-methylpiperidin-1-yl)ethyl]guanidine;hydroiodide
CID 110990160
1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-methyl-3-(1-phenylpyrrolidin-3-yl)guanidine;hydroiodide
CID 111910316
1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[2-(3-methylpiperidin-1-yl)ethyl]guanidine
CID 111919699
3-[[N'-methyl-N-(1-phenylpyrrolidin-3-yl)carbamimidoyl]amino]-N-propan-2-ylpropanamide
CID 111909059
2-methyl-1-[4-(2-methylpiperidin-1-yl)butyl]-3-(1-phenylpyrrolidin-3-yl)guanidine
CID 111909963
1-[2-(3,5-difluorophenyl)ethyl]-2-methyl-3-(1-phenylpyrrolidin-3-yl)guanidine
CID 111909979
2-methyl-1-(1-phenylpyrrolidin-3-yl)-3-prop-2-ynylguanidine
CID 111910545

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(3-methylpiperidin-1-yl)ethyl]-3-(1-phenylpyrrolidin-3-yl)guanidine?
The IUPAC name of 2-methyl-1-[2-(3-methylpiperidin-1-yl)ethyl]-3-(1-phenylpyrrolidin-3-yl)guanidine (CID 111910209) is 2-methyl-1-[2-(3-methylpiperidin-1-yl)ethyl]-3-(1-phenylpyrrolidin-3-yl)guanidine.
What is the SMILES notation for 2-methyl-1-[2-(3-methylpiperidin-1-yl)ethyl]-3-(1-phenylpyrrolidin-3-yl)guanidine?
The canonical SMILES for 2-methyl-1-[2-(3-methylpiperidin-1-yl)ethyl]-3-(1-phenylpyrrolidin-3-yl)guanidine is C/N=C(\NCCN1CCCC(C)C1)NC1CCN(c2ccccc2)C1.
What is the InChIKey of 2-methyl-1-[2-(3-methylpiperidin-1-yl)ethyl]-3-(1-phenylpyrrolidin-3-yl)guanidine?
The InChIKey is ANHGFNTWEIMAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5/c1-17-7-6-12-24(15-17)14-11-22-20(21-2)23-18-10-13-25(16-18)19-8-4-3-5-9-19/h3-5,8-9,17-18H,6-7,10-16H2,1-2H3,(H2,21,22,23).
What are the key properties of 2-methyl-1-[2-(3-methylpiperidin-1-yl)ethyl]-3-(1-phenylpyrrolidin-3-yl)guanidine?
2-methyl-1-[2-(3-methylpiperidin-1-yl)ethyl]-3-(1-phenylpyrrolidin-3-yl)guanidine has a molecular weight of 343.52 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(3-methylpiperidin-1-yl)ethyl]-3-(1-phenylpyrrolidin-3-yl)guanidine is sourced from PubChem (CID 111910209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).