N',3-dimethyl-N-[2-(4-methylpiperazin-1-yl)propyl]-3-propylpiperidine-1-carboximidamide;hydroiodide

C19H40IN5 — CID 109490733

IUPACN',3-dimethyl-N-[2-(4-methylpiperazin-1-yl)propyl]-3-propylpiperidine-1-carboximidamide;hydroiodide
SMILESCCCC1(C)CCCN(/C(=N/C)NCC(C)N2CCN(C)CC2)C1.I
InChIInChI=1S/C19H39N5.HI/c1-6-8-19(3)9-7-10-24(16-19)18(20-4)21-15-17(2)23-13-11-22(5)12-14-23;/h17H,6-16H2,1-5H3,(H,20,21);1H
InChIKeyRQYXLZNLAJQXOA-UHFFFAOYSA-N
MW465.47 g/mol
LogP2.72
Rot. Bonds5

About N',3-dimethyl-N-[2-(4-methylpiperazin-1-yl)propyl]-3-propylpiperidine-1-carboximidamide;hydroiodide

N',3-dimethyl-N-[2-(4-methylpiperazin-1-yl)propyl]-3-propylpiperidine-1-carboximidamide;hydroiodide (PubChem CID 109490733) has the molecular formula C19H40IN5 and a molecular weight of 465.47 g/mol. Its IUPAC name is N',3-dimethyl-N-[2-(4-methylpiperazin-1-yl)propyl]-3-propylpiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN',3-dimethyl-N-[2-(4-methylpiperazin-1-yl)propyl]-3-propylpiperidine-1-carboximidamide;hydroiodide
PubChem CID109490733
Molecular FormulaC19H40IN5
Molecular Weight465.47 g/mol
Exact Mass465.23
IUPAC NameN',3-dimethyl-N-[2-(4-methylpiperazin-1-yl)propyl]-3-propylpiperidine-1-carboximidamide;hydroiodide
SMILESCCCC1(C)CCCN(/C(=N/C)NCC(C)N2CCN(C)CC2)C1.I
InChIInChI=1S/C19H39N5.HI/c1-6-8-19(3)9-7-10-24(16-19)18(20-4)21-15-17(2)23-13-11-22(5)12-14-23;/h17H,6-16H2,1-5H3,(H,20,21);1H
InChIKeyRQYXLZNLAJQXOA-UHFFFAOYSA-N
XLogP2.72
TPSA34.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.47
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N',3-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-3-propylpiperidine-1-carboximidamide
CID 109490448
N-[2-(4-ethylpiperazin-1-yl)propyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide
CID 109490096
N-(2,2-difluoroethyl)-N',3-dimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide
CID 109490573
N-ethyl-3-methyl-N'-[2-(4-methylpiperazin-1-yl)propyl]-3-propylpiperidine-1-carboximidamide
CID 109490117
N-ethyl-N',3-dimethyl-3-propylpiperidine-1-carboximidamide
CID 109490392
N',3-dimethyl-N-[3-(4-methyl-1,4-diazepan-1-yl)propyl]-3-propylpiperidine-1-carboximidamide;hydroiodide
CID 109490397
N',2,2-trimethyl-N-[2-(4-methylpiperazin-1-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109489262
2-methyl-N-[2-[[N-methyl-C-(3-methyl-3-propylpiperidin-1-yl)carbonimidoyl]amino]ethyl]propanamide
CID 109490153
N',3-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]-3-propylpiperidine-1-carboximidamide;hydroiodide
CID 109490865
N-ethyl-N'-[2-(4-ethylpiperazin-1-yl)propyl]-3-methyl-3-propylpiperidine-1-carboximidamide;hydroiodide
CID 109490945
N-butan-2-yl-3-[[N-methyl-C-(3-methyl-3-propylpiperidin-1-yl)carbonimidoyl]amino]propanamide;hydroiodide
CID 109490182
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide
CID 109490254

Frequently Asked Questions

What is the IUPAC name of N',3-dimethyl-N-[2-(4-methylpiperazin-1-yl)propyl]-3-propylpiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N',3-dimethyl-N-[2-(4-methylpiperazin-1-yl)propyl]-3-propylpiperidine-1-carboximidamide;hydroiodide (CID 109490733) is N',3-dimethyl-N-[2-(4-methylpiperazin-1-yl)propyl]-3-propylpiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N',3-dimethyl-N-[2-(4-methylpiperazin-1-yl)propyl]-3-propylpiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N',3-dimethyl-N-[2-(4-methylpiperazin-1-yl)propyl]-3-propylpiperidine-1-carboximidamide;hydroiodide is CCCC1(C)CCCN(/C(=N/C)NCC(C)N2CCN(C)CC2)C1.I.
What is the InChIKey of N',3-dimethyl-N-[2-(4-methylpiperazin-1-yl)propyl]-3-propylpiperidine-1-carboximidamide;hydroiodide?
The InChIKey is RQYXLZNLAJQXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N5.HI/c1-6-8-19(3)9-7-10-24(16-19)18(20-4)21-15-17(2)23-13-11-22(5)12-14-23;/h17H,6-16H2,1-5H3,(H,20,21);1H.
What are the key properties of N',3-dimethyl-N-[2-(4-methylpiperazin-1-yl)propyl]-3-propylpiperidine-1-carboximidamide;hydroiodide?
N',3-dimethyl-N-[2-(4-methylpiperazin-1-yl)propyl]-3-propylpiperidine-1-carboximidamide;hydroiodide has a molecular weight of 465.47 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',3-dimethyl-N-[2-(4-methylpiperazin-1-yl)propyl]-3-propylpiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 109490733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).