1-ethyl-2-(naphthalen-1-ylmethyl)-3-(1-pyridin-2-ylpiperidin-4-yl)guanidine;hydroiodide

C24H30IN5 — CID 111978079

IUPAC1-ethyl-2-(naphthalen-1-ylmethyl)-3-(1-pyridin-2-ylpiperidin-4-yl)guanidine;hydroiodide
SMILESCCN/C(=N\Cc1cccc2ccccc12)NC1CCN(c2ccccn2)CC1.I
InChIInChI=1S/C24H29N5.HI/c1-2-25-24(27-18-20-10-7-9-19-8-3-4-11-22(19)20)28-21-13-16-29(17-14-21)23-12-5-6-15-26-23;/h3-12,15,21H,2,13-14,16-18H2,1H3,(H2,25,27,28);1H
InChIKeyHPBQLSWVLPTIFU-UHFFFAOYSA-N
MW515.44 g/mol
LogP4.58
Rot. Bonds5

About 1-ethyl-2-(naphthalen-1-ylmethyl)-3-(1-pyridin-2-ylpiperidin-4-yl)guanidine;hydroiodide

1-ethyl-2-(naphthalen-1-ylmethyl)-3-(1-pyridin-2-ylpiperidin-4-yl)guanidine;hydroiodide (PubChem CID 111978079) has the molecular formula C24H30IN5 and a molecular weight of 515.44 g/mol. Its IUPAC name is 1-ethyl-2-(naphthalen-1-ylmethyl)-3-(1-pyridin-2-ylpiperidin-4-yl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-2-(naphthalen-1-ylmethyl)-3-(1-pyridin-2-ylpiperidin-4-yl)guanidine;hydroiodide
PubChem CID111978079
Molecular FormulaC24H30IN5
Molecular Weight515.44 g/mol
Exact Mass515.15
IUPAC Name1-ethyl-2-(naphthalen-1-ylmethyl)-3-(1-pyridin-2-ylpiperidin-4-yl)guanidine;hydroiodide
SMILESCCN/C(=N\Cc1cccc2ccccc12)NC1CCN(c2ccccn2)CC1.I
InChIInChI=1S/C24H29N5.HI/c1-2-25-24(27-18-20-10-7-9-19-8-3-4-11-22(19)20)28-21-13-16-29(17-14-21)23-12-5-6-15-26-23;/h3-12,15,21H,2,13-14,16-18H2,1H3,(H2,25,27,28);1H
InChIKeyHPBQLSWVLPTIFU-UHFFFAOYSA-N
XLogP4.58
TPSA52.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.44
LogP ≤ 54.58
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-3-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]-2-(naphthalen-1-ylmethyl)guanidine
CID 111978208
1-ethyl-2-(naphthalen-1-ylmethyl)-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]guanidine
CID 111978008
1-ethyl-2-[(4-hydroxyphenyl)methyl]-3-(1-pyridin-2-ylpiperidin-4-yl)guanidine
CID 111984399
2-methyl-1-(naphthalen-1-ylmethyl)-3-(1-pyridin-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111978085
1-ethyl-2-(naphthalen-1-ylmethyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111319023
2-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-1-ethyl-3-(1-pyridin-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111992770
4-[[N-ethyl-N'-(naphthalen-1-ylmethyl)carbamimidoyl]amino]piperidine-1-carboxamide
CID 111978110
N-[2-[[ethylamino-[(1-pyridin-2-ylpiperidin-4-yl)amino]methylidene]amino]ethyl]-2-hydroxybenzamide;hydroiodide
CID 111993344
1-ethyl-2-(naphthalen-1-ylmethyl)-3-[1-(oxolan-3-ylmethyl)piperidin-4-yl]guanidine;hydroiodide
CID 111978435
1-cyclopropyl-3-ethyl-2-(2-naphthalen-1-ylethyl)guanidine;hydroiodide
CID 110988159
1-ethyl-3-(1-propylpiperidin-4-yl)-2-(quinolin-4-ylmethyl)guanidine;hydroiodide
CID 111968268
1-[1-(3,5-dimethoxyphenyl)piperidin-4-yl]-3-ethyl-2-(quinolin-8-ylmethyl)guanidine
CID 109387115

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(naphthalen-1-ylmethyl)-3-(1-pyridin-2-ylpiperidin-4-yl)guanidine;hydroiodide?
The IUPAC name of 1-ethyl-2-(naphthalen-1-ylmethyl)-3-(1-pyridin-2-ylpiperidin-4-yl)guanidine;hydroiodide (CID 111978079) is 1-ethyl-2-(naphthalen-1-ylmethyl)-3-(1-pyridin-2-ylpiperidin-4-yl)guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-2-(naphthalen-1-ylmethyl)-3-(1-pyridin-2-ylpiperidin-4-yl)guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-2-(naphthalen-1-ylmethyl)-3-(1-pyridin-2-ylpiperidin-4-yl)guanidine;hydroiodide is CCN/C(=N\Cc1cccc2ccccc12)NC1CCN(c2ccccn2)CC1.I.
What is the InChIKey of 1-ethyl-2-(naphthalen-1-ylmethyl)-3-(1-pyridin-2-ylpiperidin-4-yl)guanidine;hydroiodide?
The InChIKey is HPBQLSWVLPTIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5.HI/c1-2-25-24(27-18-20-10-7-9-19-8-3-4-11-22(19)20)28-21-13-16-29(17-14-21)23-12-5-6-15-26-23;/h3-12,15,21H,2,13-14,16-18H2,1H3,(H2,25,27,28);1H.
What are the key properties of 1-ethyl-2-(naphthalen-1-ylmethyl)-3-(1-pyridin-2-ylpiperidin-4-yl)guanidine;hydroiodide?
1-ethyl-2-(naphthalen-1-ylmethyl)-3-(1-pyridin-2-ylpiperidin-4-yl)guanidine;hydroiodide has a molecular weight of 515.44 g/mol, XLogP of 4.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(naphthalen-1-ylmethyl)-3-(1-pyridin-2-ylpiperidin-4-yl)guanidine;hydroiodide is sourced from PubChem (CID 111978079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).