N'-[N'-(naphthalen-1-ylmethyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride

C18H24ClN5 — CID 162323761

IUPACN'-[N'-(naphthalen-1-ylmethyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride
SMILESCl.NC(=N/C(N)=N/Cc1cccc2ccccc12)N1CCCCC1
InChIInChI=1S/C18H23N5.ClH/c19-17(22-18(20)23-11-4-1-5-12-23)21-13-15-9-6-8-14-7-2-3-10-16(14)15;/h2-3,6-10H,1,4-5,11-13H2,(H4,19,20,21,22);1H
InChIKeyVCZXQPYDEPNFKG-UHFFFAOYSA-N
MW345.88 g/mol
LogP2.88
Rot. Bonds2

About N'-[N'-(naphthalen-1-ylmethyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride

N'-[N'-(naphthalen-1-ylmethyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride (PubChem CID 162323761) has the molecular formula C18H24ClN5 and a molecular weight of 345.88 g/mol. Its IUPAC name is N'-[N'-(naphthalen-1-ylmethyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride.

Molecular Properties

Compound NameN'-[N'-(naphthalen-1-ylmethyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride
PubChem CID162323761
Molecular FormulaC18H24ClN5
Molecular Weight345.88 g/mol
Exact Mass345.17
IUPAC NameN'-[N'-(naphthalen-1-ylmethyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride
SMILESCl.NC(=N/C(N)=N/Cc1cccc2ccccc12)N1CCCCC1
InChIInChI=1S/C18H23N5.ClH/c19-17(22-18(20)23-11-4-1-5-12-23)21-13-15-9-6-8-14-7-2-3-10-16(14)15;/h2-3,6-10H,1,4-5,11-13H2,(H4,19,20,21,22);1H
InChIKeyVCZXQPYDEPNFKG-UHFFFAOYSA-N
XLogP2.88
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.88
LogP ≤ 52.88
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'-(2-naphthalen-1-ylethyl)piperidine-1-carboximidamide
CID 111060631
N'-[N'-[(4-chlorophenyl)methyl]carbamimidoyl]azepane-1-carboximidamide;dihydrochloride
CID 142720634
N'-[[2-(hydroxymethyl)phenyl]methyl]piperidine-1-carboximidamide
CID 111077355
N'-[N'-[[4-(trifluoromethyl)phenyl]methyl]carbamimidoyl]piperidine-1-carboximidamide
CID 71513641
N'-[N'-(1,3-benzodioxol-5-ylmethyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride
CID 161285939
N'-[N'-[[3-(trifluoromethyl)phenyl]methyl]carbamimidoyl]piperidine-1-carboximidamide
CID 71513003
N'-[N'-[(3,4-dichlorophenyl)methyl]carbamimidoyl]piperidine-1-carboximidamide
CID 142720621
N'-[N'-[[4-(trifluoromethoxy)phenyl]methyl]carbamimidoyl]pyrrolidine-1-carboximidamide
CID 71513643
N'-[N'-[[4-(trifluoromethoxy)phenyl]methyl]carbamimidoyl]pyrrolidine-1-carboximidamide
CID 78093565
N'-[[2-(methoxymethyl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111053986
2-naphthalen-1-yl-1-pyrrolidin-1-ylethanone
CID 905345
N'-[N'-[2-(4-fluorophenyl)ethyl]carbamimidoyl]azepane-1-carboximidamide;hydrochloride
CID 162311545

Frequently Asked Questions

What is the IUPAC name of N'-[N'-(naphthalen-1-ylmethyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride?
The IUPAC name of N'-[N'-(naphthalen-1-ylmethyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride (CID 162323761) is N'-[N'-(naphthalen-1-ylmethyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride.
What is the SMILES notation for N'-[N'-(naphthalen-1-ylmethyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride?
The canonical SMILES for N'-[N'-(naphthalen-1-ylmethyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride is Cl.NC(=N/C(N)=N/Cc1cccc2ccccc12)N1CCCCC1.
What is the InChIKey of N'-[N'-(naphthalen-1-ylmethyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride?
The InChIKey is VCZXQPYDEPNFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5.ClH/c19-17(22-18(20)23-11-4-1-5-12-23)21-13-15-9-6-8-14-7-2-3-10-16(14)15;/h2-3,6-10H,1,4-5,11-13H2,(H4,19,20,21,22);1H.
What are the key properties of N'-[N'-(naphthalen-1-ylmethyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride?
N'-[N'-(naphthalen-1-ylmethyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride has a molecular weight of 345.88 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[N'-(naphthalen-1-ylmethyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride is sourced from PubChem (CID 162323761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).