N'-[N'-[(4-chlorophenyl)methyl]carbamimidoyl]-3-methylpiperidine-1-carboximidamide;hydrochloride

C15H23Cl2N5 — CID 158187066

IUPACN'-[N'-[(4-chlorophenyl)methyl]carbamimidoyl]-3-methylpiperidine-1-carboximidamide;hydrochloride
SMILESCC1CCCN(C(N)=N/C(N)=N/Cc2ccc(Cl)cc2)C1.Cl
InChIInChI=1S/C15H22ClN5.ClH/c1-11-3-2-8-21(10-11)15(18)20-14(17)19-9-12-4-6-13(16)7-5-12;/h4-7,11H,2-3,8-10H2,1H3,(H4,17,18,19,20);1H
InChIKeyQGKCCMRYGDUVSJ-UHFFFAOYSA-N
MW344.29 g/mol
LogP2.62
Rot. Bonds2

About N'-[N'-[(4-chlorophenyl)methyl]carbamimidoyl]-3-methylpiperidine-1-carboximidamide;hydrochloride

N'-[N'-[(4-chlorophenyl)methyl]carbamimidoyl]-3-methylpiperidine-1-carboximidamide;hydrochloride (PubChem CID 158187066) has the molecular formula C15H23Cl2N5 and a molecular weight of 344.29 g/mol. Its IUPAC name is N'-[N'-[(4-chlorophenyl)methyl]carbamimidoyl]-3-methylpiperidine-1-carboximidamide;hydrochloride.

Molecular Properties

Compound NameN'-[N'-[(4-chlorophenyl)methyl]carbamimidoyl]-3-methylpiperidine-1-carboximidamide;hydrochloride
PubChem CID158187066
Molecular FormulaC15H23Cl2N5
Molecular Weight344.29 g/mol
Exact Mass343.13
IUPAC NameN'-[N'-[(4-chlorophenyl)methyl]carbamimidoyl]-3-methylpiperidine-1-carboximidamide;hydrochloride
SMILESCC1CCCN(C(N)=N/C(N)=N/Cc2ccc(Cl)cc2)C1.Cl
InChIInChI=1S/C15H22ClN5.ClH/c1-11-3-2-8-21(10-11)15(18)20-14(17)19-9-12-4-6-13(16)7-5-12;/h4-7,11H,2-3,8-10H2,1H3,(H4,17,18,19,20);1H
InChIKeyQGKCCMRYGDUVSJ-UHFFFAOYSA-N
XLogP2.62
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.29
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N'-[N'-[(4-chlorophenyl)methyl]carbamimidoyl]azepane-1-carboximidamide;dihydrochloride
CID 142720634
3-methyl-N'-[N'-[[4-(trifluoromethoxy)phenyl]methyl]carbamimidoyl]piperidine-1-carboximidamide;dihydrochloride
CID 142722397
N'-[(3-chloro-4-fluorophenyl)methyl]-3-methylpiperidine-1-carboximidamide
CID 111045706
4-[[[amino-(3-methylpiperidin-1-yl)methylidene]amino]methyl]benzamide
CID 111030232
3-methyl-N'-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboximidamide
CID 111037394
N'-[[4-(2,5-dihydropyrrol-1-yl)phenyl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111816739
N'-[N'-[(4-methylphenyl)methyl]carbamimidoyl]piperidine-1-carboximidamide
CID 71513423
N'-[2-(4-chlorophenoxy)ethyl]-3-methylpiperidine-1-carboximidamide
CID 111032344
N'-[N'-[(4-bromophenyl)methyl]carbamimidoyl]pyrrolidine-1-carboximidamide
CID 71513636
N'-[N'-(4-fluorophenyl)carbamimidoyl]-3-methylpiperidine-1-carboximidamide;dihydrochloride
CID 142722417
3-methyl-N'-[(4-pyrazol-1-ylphenyl)methyl]piperidine-1-carboximidamide
CID 111063356
N'-[N'-[(3,4-dichlorophenyl)methyl]carbamimidoyl]piperidine-1-carboximidamide
CID 142720621

Frequently Asked Questions

What is the IUPAC name of N'-[N'-[(4-chlorophenyl)methyl]carbamimidoyl]-3-methylpiperidine-1-carboximidamide;hydrochloride?
The IUPAC name of N'-[N'-[(4-chlorophenyl)methyl]carbamimidoyl]-3-methylpiperidine-1-carboximidamide;hydrochloride (CID 158187066) is N'-[N'-[(4-chlorophenyl)methyl]carbamimidoyl]-3-methylpiperidine-1-carboximidamide;hydrochloride.
What is the SMILES notation for N'-[N'-[(4-chlorophenyl)methyl]carbamimidoyl]-3-methylpiperidine-1-carboximidamide;hydrochloride?
The canonical SMILES for N'-[N'-[(4-chlorophenyl)methyl]carbamimidoyl]-3-methylpiperidine-1-carboximidamide;hydrochloride is CC1CCCN(C(N)=N/C(N)=N/Cc2ccc(Cl)cc2)C1.Cl.
What is the InChIKey of N'-[N'-[(4-chlorophenyl)methyl]carbamimidoyl]-3-methylpiperidine-1-carboximidamide;hydrochloride?
The InChIKey is QGKCCMRYGDUVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN5.ClH/c1-11-3-2-8-21(10-11)15(18)20-14(17)19-9-12-4-6-13(16)7-5-12;/h4-7,11H,2-3,8-10H2,1H3,(H4,17,18,19,20);1H.
What are the key properties of N'-[N'-[(4-chlorophenyl)methyl]carbamimidoyl]-3-methylpiperidine-1-carboximidamide;hydrochloride?
N'-[N'-[(4-chlorophenyl)methyl]carbamimidoyl]-3-methylpiperidine-1-carboximidamide;hydrochloride has a molecular weight of 344.29 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[N'-[(4-chlorophenyl)methyl]carbamimidoyl]-3-methylpiperidine-1-carboximidamide;hydrochloride is sourced from PubChem (CID 158187066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).