1-(1-cyclohexylpiperidin-4-yl)-2-methyl-3-(naphthalen-1-ylmethyl)guanidine;hydroiodide

C24H35IN4 — CID 111978527

IUPAC1-(1-cyclohexylpiperidin-4-yl)-2-methyl-3-(naphthalen-1-ylmethyl)guanidine;hydroiodide
SMILESC/N=C(\NCc1cccc2ccccc12)NC1CCN(C2CCCCC2)CC1.I
InChIInChI=1S/C24H34N4.HI/c1-25-24(26-18-20-10-7-9-19-8-5-6-13-23(19)20)27-21-14-16-28(17-15-21)22-11-3-2-4-12-22;/h5-10,13,21-22H,2-4,11-12,14-18H2,1H3,(H2,25,26,27);1H
InChIKeyQOQAQISPUUUFFR-UHFFFAOYSA-N
MW506.48 g/mol
LogP4.92
Rot. Bonds4

About 1-(1-cyclohexylpiperidin-4-yl)-2-methyl-3-(naphthalen-1-ylmethyl)guanidine;hydroiodide

1-(1-cyclohexylpiperidin-4-yl)-2-methyl-3-(naphthalen-1-ylmethyl)guanidine;hydroiodide (PubChem CID 111978527) has the molecular formula C24H35IN4 and a molecular weight of 506.48 g/mol. Its IUPAC name is 1-(1-cyclohexylpiperidin-4-yl)-2-methyl-3-(naphthalen-1-ylmethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-(1-cyclohexylpiperidin-4-yl)-2-methyl-3-(naphthalen-1-ylmethyl)guanidine;hydroiodide
PubChem CID111978527
Molecular FormulaC24H35IN4
Molecular Weight506.48 g/mol
Exact Mass506.19
IUPAC Name1-(1-cyclohexylpiperidin-4-yl)-2-methyl-3-(naphthalen-1-ylmethyl)guanidine;hydroiodide
SMILESC/N=C(\NCc1cccc2ccccc12)NC1CCN(C2CCCCC2)CC1.I
InChIInChI=1S/C24H34N4.HI/c1-25-24(26-18-20-10-7-9-19-8-5-6-13-23(19)20)27-21-14-16-28(17-15-21)22-11-3-2-4-12-22;/h5-10,13,21-22H,2-4,11-12,14-18H2,1H3,(H2,25,26,27);1H
InChIKeyQOQAQISPUUUFFR-UHFFFAOYSA-N
XLogP4.92
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.48
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(1-cyclohexylpiperidin-4-yl)-2-methyl-3-(naphthalen-2-ylmethyl)guanidine;hydroiodide
CID 111997540
methyl 4-[[N'-methyl-N-(naphthalen-1-ylmethyl)carbamimidoyl]amino]piperidine-1-carboxylate
CID 111978160
2-methyl-1-(naphthalen-1-ylmethyl)-3-(1-pyridin-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111978085
1-[(4-bromophenyl)methyl]-3-(1-cyclohexylpiperidin-4-yl)-2-methylguanidine
CID 111978526
1-(1-cyclopentylpyrrolidin-3-yl)-3-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-methylguanidine
CID 111920137
2-[4-[[N'-methyl-N-(naphthalen-1-ylmethyl)carbamimidoyl]amino]piperidin-1-yl]-N-propylacetamide;hydroiodide
CID 111978071
1-cyclohexyl-2-methyl-3-(quinolin-4-ylmethyl)guanidine;hydroiodide
CID 111968058
1-(1-cyclopentylpyrrolidin-3-yl)-3-[[2-(methanesulfonamido)phenyl]methyl]-2-methylguanidine;hydroiodide
CID 111918842
1-cyclopentyl-3-[(2-ethylphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111771191
1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(2-nitrophenyl)methyl]guanidine
CID 111918525
1-(1-cyclohexylpiperidin-4-yl)-3-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methylguanidine;hydroiodide
CID 109406243
1-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-3-(1-cyclopentylpiperidin-4-yl)-2-methylguanidine;hydroiodide
CID 111992064

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexylpiperidin-4-yl)-2-methyl-3-(naphthalen-1-ylmethyl)guanidine;hydroiodide?
The IUPAC name of 1-(1-cyclohexylpiperidin-4-yl)-2-methyl-3-(naphthalen-1-ylmethyl)guanidine;hydroiodide (CID 111978527) is 1-(1-cyclohexylpiperidin-4-yl)-2-methyl-3-(naphthalen-1-ylmethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-(1-cyclohexylpiperidin-4-yl)-2-methyl-3-(naphthalen-1-ylmethyl)guanidine;hydroiodide?
The canonical SMILES for 1-(1-cyclohexylpiperidin-4-yl)-2-methyl-3-(naphthalen-1-ylmethyl)guanidine;hydroiodide is C/N=C(\NCc1cccc2ccccc12)NC1CCN(C2CCCCC2)CC1.I.
What is the InChIKey of 1-(1-cyclohexylpiperidin-4-yl)-2-methyl-3-(naphthalen-1-ylmethyl)guanidine;hydroiodide?
The InChIKey is QOQAQISPUUUFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4.HI/c1-25-24(26-18-20-10-7-9-19-8-5-6-13-23(19)20)27-21-14-16-28(17-15-21)22-11-3-2-4-12-22;/h5-10,13,21-22H,2-4,11-12,14-18H2,1H3,(H2,25,26,27);1H.
What are the key properties of 1-(1-cyclohexylpiperidin-4-yl)-2-methyl-3-(naphthalen-1-ylmethyl)guanidine;hydroiodide?
1-(1-cyclohexylpiperidin-4-yl)-2-methyl-3-(naphthalen-1-ylmethyl)guanidine;hydroiodide has a molecular weight of 506.48 g/mol, XLogP of 4.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexylpiperidin-4-yl)-2-methyl-3-(naphthalen-1-ylmethyl)guanidine;hydroiodide is sourced from PubChem (CID 111978527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).