4-(naphthalen-1-ylmethyl)piperazine-1-carboximidamide

C16H20N4 — CID 3067594

IUPAC4-(naphthalen-1-ylmethyl)piperazine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCN(Cc2cccc3ccccc23)CC1
InChIInChI=1S/C16H20N4/c17-16(18)20-10-8-19(9-11-20)12-14-6-3-5-13-4-1-2-7-15(13)14/h1-7H,8-12H2,(H3,17,18)
InChIKeySIHPNJPVHRGBAY-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.85
Rot. Bonds2

About 4-(naphthalen-1-ylmethyl)piperazine-1-carboximidamide

4-(naphthalen-1-ylmethyl)piperazine-1-carboximidamide (PubChem CID 3067594) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-(naphthalen-1-ylmethyl)piperazine-1-carboximidamide.

Molecular Properties

Compound Name4-(naphthalen-1-ylmethyl)piperazine-1-carboximidamide
PubChem CID3067594
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name4-(naphthalen-1-ylmethyl)piperazine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCN(Cc2cccc3ccccc23)CC1
InChIInChI=1S/C16H20N4/c17-16(18)20-10-8-19(9-11-20)12-14-6-3-5-13-4-1-2-7-15(13)14/h1-7H,8-12H2,(H3,17,18)
InChIKeySIHPNJPVHRGBAY-UHFFFAOYSA-N
XLogP1.85
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.85
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'}

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Related Compounds

1-(1-Naphthylmethyl)piperazine
CID 701891
4-(Phenylmethyl)-1-piperazinecarboximidamide
CID 160903
1-Methyl-4-(naphthalen-2-ylmethyl)piperazine
CID 765796
1-(2-Naphthylmethyl)-4-benzylpiperazine
CID 1376821
Piperidine, 1-(1-naphthylmethyl)-
CID 96143
[(5S)-1-[2-(1-naphthyl)ethyl]-5-sec-butyl-2-imidazolin-2-yl]amine
CID 23640878
1-(Naphthalen-2-ylmethyl)piperazine
CID 910537
(5S)-5-(4-aminobutyl)-1-(2-naphthalen-1-ylethyl)-4,5-dihydroimidazol-2-amine
CID 23640811
N'-(naphthalen-1-ylmethyl)-N-(4-piperazin-1-ylbutyl)butane-1,4-diamine;hydrochloride
CID 45263554
N'-(naphthalen-2-ylmethyl)-N-(4-piperazin-1-ylbutyl)butane-1,4-diamine;hydrochloride
CID 45263555
1-Benzyl-1-[[3-[[benzyl(carbamimidoyl)amino]methyl]phenyl]methyl]guanidine;dihydrochloride
CID 49796554
[2-(1H,3H-benzo[de]isoquinolin-2-yl)-ethyl]-dimethyl-amine
CID 44421778

Frequently Asked Questions

What is the IUPAC name of 4-(naphthalen-1-ylmethyl)piperazine-1-carboximidamide?
The IUPAC name of 4-(naphthalen-1-ylmethyl)piperazine-1-carboximidamide (CID 3067594) is 4-(naphthalen-1-ylmethyl)piperazine-1-carboximidamide.
What is the SMILES notation for 4-(naphthalen-1-ylmethyl)piperazine-1-carboximidamide?
The canonical SMILES for 4-(naphthalen-1-ylmethyl)piperazine-1-carboximidamide is [H]/N=C(\N)N1CCN(Cc2cccc3ccccc23)CC1.
What is the InChIKey of 4-(naphthalen-1-ylmethyl)piperazine-1-carboximidamide?
The InChIKey is SIHPNJPVHRGBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c17-16(18)20-10-8-19(9-11-20)12-14-6-3-5-13-4-1-2-7-15(13)14/h1-7H,8-12H2,(H3,17,18).
What are the key properties of 4-(naphthalen-1-ylmethyl)piperazine-1-carboximidamide?
4-(naphthalen-1-ylmethyl)piperazine-1-carboximidamide has a molecular weight of 268.36 g/mol, XLogP of 1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(naphthalen-1-ylmethyl)piperazine-1-carboximidamide is sourced from PubChem (CID 3067594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).