2-methyl-1-(2-naphthalen-1-ylethyl)-3-(1-propylpiperidin-4-yl)guanidine

C22H32N4 — CID 111017595

IUPAC2-methyl-1-(2-naphthalen-1-ylethyl)-3-(1-propylpiperidin-4-yl)guanidine
SMILESCCCN1CCC(N/C(=N/C)NCCc2cccc3ccccc23)CC1
InChIInChI=1S/C22H32N4/c1-3-15-26-16-12-20(13-17-26)25-22(23-2)24-14-11-19-9-6-8-18-7-4-5-10-21(18)19/h4-10,20H,3,11-17H2,1-2H3,(H2,23,24,25)
InChIKeyKZTHQEFJPVOZKE-UHFFFAOYSA-N
MW352.53 g/mol
LogP3.42
Rot. Bonds6

About 2-methyl-1-(2-naphthalen-1-ylethyl)-3-(1-propylpiperidin-4-yl)guanidine

2-methyl-1-(2-naphthalen-1-ylethyl)-3-(1-propylpiperidin-4-yl)guanidine (PubChem CID 111017595) has the molecular formula C22H32N4 and a molecular weight of 352.53 g/mol. Its IUPAC name is 2-methyl-1-(2-naphthalen-1-ylethyl)-3-(1-propylpiperidin-4-yl)guanidine.

Molecular Properties

Compound Name2-methyl-1-(2-naphthalen-1-ylethyl)-3-(1-propylpiperidin-4-yl)guanidine
PubChem CID111017595
Molecular FormulaC22H32N4
Molecular Weight352.53 g/mol
Exact Mass352.26
IUPAC Name2-methyl-1-(2-naphthalen-1-ylethyl)-3-(1-propylpiperidin-4-yl)guanidine
SMILESCCCN1CCC(N/C(=N/C)NCCc2cccc3ccccc23)CC1
InChIInChI=1S/C22H32N4/c1-3-15-26-16-12-20(13-17-26)25-22(23-2)24-14-11-19-9-6-8-18-7-4-5-10-21(18)19/h4-10,20H,3,11-17H2,1-2H3,(H2,23,24,25)
InChIKeyKZTHQEFJPVOZKE-UHFFFAOYSA-N
XLogP3.42
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.53
LogP ≤ 53.42
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-[2-(7-ethyl-1H-indol-3-yl)ethyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine
CID 111834479
1-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111018200
2-methyl-1-(3-phenylpropyl)-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111018452
2-methyl-1-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111018758
1-[2-(4-chlorophenyl)ethyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111018446
1-[2-(3-methoxyphenyl)ethyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine
CID 111020023
2-[4-[[N'-methyl-N-(naphthalen-1-ylmethyl)carbamimidoyl]amino]piperidin-1-yl]-N-propylacetamide;hydroiodide
CID 111978071
1-[2-(3,5-dichlorophenyl)ethyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine
CID 111017431
1-(3-anilinopropyl)-2-methyl-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111017764
1-[2-[4-(dimethylamino)phenyl]ethyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111018128
2-methyl-1-(3-phenylsulfanylpropyl)-3-(1-propylpiperidin-4-yl)guanidine
CID 111018217
1-[2-(N-ethyl-2-methylanilino)ethyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine
CID 111017989

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-naphthalen-1-ylethyl)-3-(1-propylpiperidin-4-yl)guanidine?
The IUPAC name of 2-methyl-1-(2-naphthalen-1-ylethyl)-3-(1-propylpiperidin-4-yl)guanidine (CID 111017595) is 2-methyl-1-(2-naphthalen-1-ylethyl)-3-(1-propylpiperidin-4-yl)guanidine.
What is the SMILES notation for 2-methyl-1-(2-naphthalen-1-ylethyl)-3-(1-propylpiperidin-4-yl)guanidine?
The canonical SMILES for 2-methyl-1-(2-naphthalen-1-ylethyl)-3-(1-propylpiperidin-4-yl)guanidine is CCCN1CCC(N/C(=N/C)NCCc2cccc3ccccc23)CC1.
What is the InChIKey of 2-methyl-1-(2-naphthalen-1-ylethyl)-3-(1-propylpiperidin-4-yl)guanidine?
The InChIKey is KZTHQEFJPVOZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4/c1-3-15-26-16-12-20(13-17-26)25-22(23-2)24-14-11-19-9-6-8-18-7-4-5-10-21(18)19/h4-10,20H,3,11-17H2,1-2H3,(H2,23,24,25).
What are the key properties of 2-methyl-1-(2-naphthalen-1-ylethyl)-3-(1-propylpiperidin-4-yl)guanidine?
2-methyl-1-(2-naphthalen-1-ylethyl)-3-(1-propylpiperidin-4-yl)guanidine has a molecular weight of 352.53 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-naphthalen-1-ylethyl)-3-(1-propylpiperidin-4-yl)guanidine is sourced from PubChem (CID 111017595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).