N'-[[2-(3-chlorophenyl)-1-methylpiperidin-3-yl]methyl]piperidine-1-carboximidamide;hydroiodide

C19H30ClIN4 — CID 111818173

IUPACN'-[[2-(3-chlorophenyl)-1-methylpiperidin-3-yl]methyl]piperidine-1-carboximidamide;hydroiodide
SMILESCN1CCCC(C/N=C(\N)N2CCCCC2)C1c1cccc(Cl)c1.I
InChIInChI=1S/C19H29ClN4.HI/c1-23-10-6-8-16(18(23)15-7-5-9-17(20)13-15)14-22-19(21)24-11-3-2-4-12-24;/h5,7,9,13,16,18H,2-4,6,8,10-12,14H2,1H3,(H2,21,22);1H
InChIKeyCPQZEJQFUVDYCS-UHFFFAOYSA-N
MW476.83 g/mol
LogP4.14
Rot. Bonds3

About N'-[[2-(3-chlorophenyl)-1-methylpiperidin-3-yl]methyl]piperidine-1-carboximidamide;hydroiodide

N'-[[2-(3-chlorophenyl)-1-methylpiperidin-3-yl]methyl]piperidine-1-carboximidamide;hydroiodide (PubChem CID 111818173) has the molecular formula C19H30ClIN4 and a molecular weight of 476.83 g/mol. Its IUPAC name is N'-[[2-(3-chlorophenyl)-1-methylpiperidin-3-yl]methyl]piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[[2-(3-chlorophenyl)-1-methylpiperidin-3-yl]methyl]piperidine-1-carboximidamide;hydroiodide
PubChem CID111818173
Molecular FormulaC19H30ClIN4
Molecular Weight476.83 g/mol
Exact Mass476.12
IUPAC NameN'-[[2-(3-chlorophenyl)-1-methylpiperidin-3-yl]methyl]piperidine-1-carboximidamide;hydroiodide
SMILESCN1CCCC(C/N=C(\N)N2CCCCC2)C1c1cccc(Cl)c1.I
InChIInChI=1S/C19H29ClN4.HI/c1-23-10-6-8-16(18(23)15-7-5-9-17(20)13-15)14-22-19(21)24-11-3-2-4-12-24;/h5,7,9,13,16,18H,2-4,6,8,10-12,14H2,1H3,(H2,21,22);1H
InChIKeyCPQZEJQFUVDYCS-UHFFFAOYSA-N
XLogP4.14
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.83
LogP ≤ 54.14
H-Bond Donors ≤ 51
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

2-[[2-(3-chlorophenyl)-1-methylpiperidin-3-yl]methyl]-1-phenylguanidine;hydroiodide
CID 111456572
2-[[2-(3-chlorophenyl)-1-methylpiperidin-3-yl]methyl]-1-ethyl-3-propan-2-ylguanidine
CID 111772022
[(2R,3R)-2-(3-chlorophenyl)-1-methylpiperidin-3-yl]methanamine
CID 95241129
2-[[2-(3-chlorophenyl)-1-methylpiperidin-3-yl]methyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]guanidine;hydroiodide
CID 111818153
2-[[2-(3-chlorophenyl)-1-methylpiperidin-3-yl]methyl]-1-(2-ethoxyethyl)-3-ethylguanidine
CID 111637738
2-[[2-(3-chlorophenyl)-1-methylpiperidin-3-yl]methyl]-1-ethyl-3-(1-methoxypropan-2-yl)guanidine
CID 111773928
1-[[2-(3-chlorophenyl)-1-methylpiperidin-3-yl]methyl]-2-(cyclopropylmethyl)-3-ethylguanidine
CID 111637522
1-[[2-(3-chlorophenyl)-1-methylpiperidin-3-yl]methyl]-2-methyl-3-propan-2-ylguanidine;hydroiodide
CID 111772053
3-[[[[2-(3-chlorophenyl)-1-methylpiperidin-3-yl]methylamino]-(ethylamino)methylidene]amino]-2,2-dimethylpropanamide
CID 111637740
1-[[2-(3-chlorophenyl)-1-methylpiperidin-3-yl]methyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide
CID 111637663
4-[[[N-[[2-(3-chlorophenyl)-1-methylpiperidin-3-yl]methyl]-N'-methylcarbamimidoyl]amino]methyl]benzamide;hydroiodide
CID 111637501
3-[[[N-[[2-(3-chlorophenyl)-1-methylpiperidin-3-yl]methyl]-N'-methylcarbamimidoyl]amino]methyl]benzamide;hydroiodide
CID 111637623

Frequently Asked Questions

What is the IUPAC name of N'-[[2-(3-chlorophenyl)-1-methylpiperidin-3-yl]methyl]piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[[2-(3-chlorophenyl)-1-methylpiperidin-3-yl]methyl]piperidine-1-carboximidamide;hydroiodide (CID 111818173) is N'-[[2-(3-chlorophenyl)-1-methylpiperidin-3-yl]methyl]piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[[2-(3-chlorophenyl)-1-methylpiperidin-3-yl]methyl]piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[[2-(3-chlorophenyl)-1-methylpiperidin-3-yl]methyl]piperidine-1-carboximidamide;hydroiodide is CN1CCCC(C/N=C(\N)N2CCCCC2)C1c1cccc(Cl)c1.I.
What is the InChIKey of N'-[[2-(3-chlorophenyl)-1-methylpiperidin-3-yl]methyl]piperidine-1-carboximidamide;hydroiodide?
The InChIKey is CPQZEJQFUVDYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29ClN4.HI/c1-23-10-6-8-16(18(23)15-7-5-9-17(20)13-15)14-22-19(21)24-11-3-2-4-12-24;/h5,7,9,13,16,18H,2-4,6,8,10-12,14H2,1H3,(H2,21,22);1H.
What are the key properties of N'-[[2-(3-chlorophenyl)-1-methylpiperidin-3-yl]methyl]piperidine-1-carboximidamide;hydroiodide?
N'-[[2-(3-chlorophenyl)-1-methylpiperidin-3-yl]methyl]piperidine-1-carboximidamide;hydroiodide has a molecular weight of 476.83 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[2-(3-chlorophenyl)-1-methylpiperidin-3-yl]methyl]piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111818173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).