N'-(2-naphthalen-1-ylethyl)piperidine-1-carboximidamide

C18H23N3 — CID 111060631

IUPACN'-(2-naphthalen-1-ylethyl)piperidine-1-carboximidamide
SMILESN/C(=N\CCc1cccc2ccccc12)N1CCCCC1
InChIInChI=1S/C18H23N3/c19-18(21-13-4-1-5-14-21)20-12-11-16-9-6-8-15-7-2-3-10-17(15)16/h2-3,6-10H,1,4-5,11-14H2,(H2,19,20)
InChIKeyLRLVHJRXKYROAG-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.18
Rot. Bonds3

About N'-(2-naphthalen-1-ylethyl)piperidine-1-carboximidamide

N'-(2-naphthalen-1-ylethyl)piperidine-1-carboximidamide (PubChem CID 111060631) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is N'-(2-naphthalen-1-ylethyl)piperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-(2-naphthalen-1-ylethyl)piperidine-1-carboximidamide
PubChem CID111060631
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC NameN'-(2-naphthalen-1-ylethyl)piperidine-1-carboximidamide
SMILESN/C(=N\CCc1cccc2ccccc12)N1CCCCC1
InChIInChI=1S/C18H23N3/c19-18(21-13-4-1-5-14-21)20-12-11-16-9-6-8-15-7-2-3-10-17(15)16/h2-3,6-10H,1,4-5,11-14H2,(H2,19,20)
InChIKeyLRLVHJRXKYROAG-UHFFFAOYSA-N
XLogP3.18
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.18
H-Bond Donors ≤ 51
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'-(naphthalen-1-ylmethyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride
CID 162323761
N'-[2-(7-ethyl-1H-indol-3-yl)ethyl]piperidine-1-carboximidamide
CID 111807074
N'-(2-naphthalen-1-ylethyl)-3,4-dihydro-2H-quinoline-1-carboximidamide
CID 67553346
N'-[3-(2-chlorophenyl)propyl]piperidine-1-carboximidamide
CID 111806874
N'-[[2-(hydroxymethyl)phenyl]methyl]piperidine-1-carboximidamide
CID 111077355
N'-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]morpholine-4-carboximidamide;hydroiodide
CID 111081716
N'-[2-(3-methylphenyl)ethyl]piperidine-1-carboximidamide
CID 111077789
N'-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111095535
1-hydroxy-2-(2-naphthalen-1-ylethyl)guanidine;hydrochloride
CID 73350578
N'-[2-(1H-benzimidazol-2-yl)ethyl]piperidine-1-carboximidamide
CID 111033753
N'-[2-(furan-2-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111031105
N'-[2-(1H-benzimidazol-2-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111033752

Frequently Asked Questions

What is the IUPAC name of N'-(2-naphthalen-1-ylethyl)piperidine-1-carboximidamide?
The IUPAC name of N'-(2-naphthalen-1-ylethyl)piperidine-1-carboximidamide (CID 111060631) is N'-(2-naphthalen-1-ylethyl)piperidine-1-carboximidamide.
What is the SMILES notation for N'-(2-naphthalen-1-ylethyl)piperidine-1-carboximidamide?
The canonical SMILES for N'-(2-naphthalen-1-ylethyl)piperidine-1-carboximidamide is N/C(=N\CCc1cccc2ccccc12)N1CCCCC1.
What is the InChIKey of N'-(2-naphthalen-1-ylethyl)piperidine-1-carboximidamide?
The InChIKey is LRLVHJRXKYROAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c19-18(21-13-4-1-5-14-21)20-12-11-16-9-6-8-15-7-2-3-10-17(15)16/h2-3,6-10H,1,4-5,11-14H2,(H2,19,20).
What are the key properties of N'-(2-naphthalen-1-ylethyl)piperidine-1-carboximidamide?
N'-(2-naphthalen-1-ylethyl)piperidine-1-carboximidamide has a molecular weight of 281.40 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-naphthalen-1-ylethyl)piperidine-1-carboximidamide is sourced from PubChem (CID 111060631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).