1-cyclopropyl-1-methyl-2-[(1-pyridin-4-ylpiperidin-4-yl)methyl]guanidine;hydroiodide

C16H26IN5 — CID 110031877

IUPAC1-cyclopropyl-1-methyl-2-[(1-pyridin-4-ylpiperidin-4-yl)methyl]guanidine;hydroiodide
SMILESCN(/C(N)=N/CC1CCN(c2ccncc2)CC1)C1CC1.I
InChIInChI=1S/C16H25N5.HI/c1-20(14-2-3-14)16(17)19-12-13-6-10-21(11-7-13)15-4-8-18-9-5-15;/h4-5,8-9,13-14H,2-3,6-7,10-12H2,1H3,(H2,17,19);1H
InChIKeyYJJKFZKUOLMZNO-UHFFFAOYSA-N
MW415.32 g/mol
LogP2.32
Rot. Bonds4

About 1-cyclopropyl-1-methyl-2-[(1-pyridin-4-ylpiperidin-4-yl)methyl]guanidine;hydroiodide

1-cyclopropyl-1-methyl-2-[(1-pyridin-4-ylpiperidin-4-yl)methyl]guanidine;hydroiodide (PubChem CID 110031877) has the molecular formula C16H26IN5 and a molecular weight of 415.32 g/mol. Its IUPAC name is 1-cyclopropyl-1-methyl-2-[(1-pyridin-4-ylpiperidin-4-yl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclopropyl-1-methyl-2-[(1-pyridin-4-ylpiperidin-4-yl)methyl]guanidine;hydroiodide
PubChem CID110031877
Molecular FormulaC16H26IN5
Molecular Weight415.32 g/mol
Exact Mass415.12
IUPAC Name1-cyclopropyl-1-methyl-2-[(1-pyridin-4-ylpiperidin-4-yl)methyl]guanidine;hydroiodide
SMILESCN(/C(N)=N/CC1CCN(c2ccncc2)CC1)C1CC1.I
InChIInChI=1S/C16H25N5.HI/c1-20(14-2-3-14)16(17)19-12-13-6-10-21(11-7-13)15-4-8-18-9-5-15;/h4-5,8-9,13-14H,2-3,6-7,10-12H2,1H3,(H2,17,19);1H
InChIKeyYJJKFZKUOLMZNO-UHFFFAOYSA-N
XLogP2.32
TPSA57.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.32
LogP ≤ 52.32
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

1-cyclopropyl-1-methyl-2-[(1-phenylpyrrolidin-3-yl)methyl]guanidine
CID 110030229
1-cyclopropyl-2-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-1-methylguanidine;hydroiodide
CID 110030646
2-(cyclooctylmethyl)-1-cyclopropyl-1-methylguanidine
CID 110030438
1-cyclopropyl-2-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-1-methylguanidine;hydroiodide
CID 110029609
1-cyclopropyl-1-methyl-2-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 110030146
1-cyclopropyl-1-methyl-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]guanidine
CID 110030695
1-cyclopropyl-1-methyl-2-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]guanidine;hydroiodide
CID 110030642
2-methyl-4-(1-pyridin-4-ylpiperidin-4-yl)butanamide
CID 140553160
1-cyclopropyl-1-methyl-2-[2-(3-methyl-4-pyridinyl)ethyl]guanidine
CID 110031793
1-cyclopropyl-1-methyl-2-(pyridin-3-ylmethyl)guanidine
CID 110029384
N'-[(1-pyridin-4-ylpiperidin-4-yl)methyl]oxamide
CID 86263499
[(3S)-1-pyridin-4-ylpyrrolidin-3-yl]methanol
CID 129367724

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-methyl-2-[(1-pyridin-4-ylpiperidin-4-yl)methyl]guanidine;hydroiodide?
The IUPAC name of 1-cyclopropyl-1-methyl-2-[(1-pyridin-4-ylpiperidin-4-yl)methyl]guanidine;hydroiodide (CID 110031877) is 1-cyclopropyl-1-methyl-2-[(1-pyridin-4-ylpiperidin-4-yl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-cyclopropyl-1-methyl-2-[(1-pyridin-4-ylpiperidin-4-yl)methyl]guanidine;hydroiodide?
The canonical SMILES for 1-cyclopropyl-1-methyl-2-[(1-pyridin-4-ylpiperidin-4-yl)methyl]guanidine;hydroiodide is CN(/C(N)=N/CC1CCN(c2ccncc2)CC1)C1CC1.I.
What is the InChIKey of 1-cyclopropyl-1-methyl-2-[(1-pyridin-4-ylpiperidin-4-yl)methyl]guanidine;hydroiodide?
The InChIKey is YJJKFZKUOLMZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5.HI/c1-20(14-2-3-14)16(17)19-12-13-6-10-21(11-7-13)15-4-8-18-9-5-15;/h4-5,8-9,13-14H,2-3,6-7,10-12H2,1H3,(H2,17,19);1H.
What are the key properties of 1-cyclopropyl-1-methyl-2-[(1-pyridin-4-ylpiperidin-4-yl)methyl]guanidine;hydroiodide?
1-cyclopropyl-1-methyl-2-[(1-pyridin-4-ylpiperidin-4-yl)methyl]guanidine;hydroiodide has a molecular weight of 415.32 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-methyl-2-[(1-pyridin-4-ylpiperidin-4-yl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 110031877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).