1-ethyl-2-(naphthalen-1-ylmethyl)-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]guanidine

C25H31N5 — CID 111978008

IUPAC1-ethyl-2-(naphthalen-1-ylmethyl)-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]guanidine
SMILESCCN/C(=N\Cc1cccc2ccccc12)NC1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C25H31N5/c1-2-26-25(28-18-21-10-7-9-20-8-3-4-12-24(20)21)29-22-13-16-30(17-14-22)19-23-11-5-6-15-27-23/h3-12,15,22H,2,13-14,16-19H2,1H3,(H2,26,28,29)
InChIKeyISGRXDQLNBSKAB-UHFFFAOYSA-N
MW401.56 g/mol
LogP3.95
Rot. Bonds6

About 1-ethyl-2-(naphthalen-1-ylmethyl)-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]guanidine

1-ethyl-2-(naphthalen-1-ylmethyl)-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]guanidine (PubChem CID 111978008) has the molecular formula C25H31N5 and a molecular weight of 401.56 g/mol. Its IUPAC name is 1-ethyl-2-(naphthalen-1-ylmethyl)-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]guanidine.

Molecular Properties

Compound Name1-ethyl-2-(naphthalen-1-ylmethyl)-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]guanidine
PubChem CID111978008
Molecular FormulaC25H31N5
Molecular Weight401.56 g/mol
Exact Mass401.26
IUPAC Name1-ethyl-2-(naphthalen-1-ylmethyl)-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]guanidine
SMILESCCN/C(=N\Cc1cccc2ccccc12)NC1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C25H31N5/c1-2-26-25(28-18-21-10-7-9-20-8-3-4-12-24(20)21)29-22-13-16-30(17-14-22)19-23-11-5-6-15-27-23/h3-12,15,22H,2,13-14,16-19H2,1H3,(H2,26,28,29)
InChIKeyISGRXDQLNBSKAB-UHFFFAOYSA-N
XLogP3.95
TPSA52.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.56
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-ethyl-2-(naphthalen-1-ylmethyl)-3-(1-pyridin-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111978079
N-[2-[[ethylamino-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2-methylpropanamide
CID 111990343
1-ethyl-2-(naphthalen-1-ylmethyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111319023
1-ethyl-2-[3-(1H-indol-3-yl)propyl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]guanidine
CID 111984261
4-[[N-ethyl-N'-(naphthalen-1-ylmethyl)carbamimidoyl]amino]piperidine-1-carboxamide
CID 111978110
1-ethyl-2-[2-[(2-methoxyphenyl)methoxy]ethyl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]guanidine
CID 109405017
1-ethyl-3-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]-2-(naphthalen-1-ylmethyl)guanidine
CID 111978208
1-ethyl-2-[2-[(2-methoxyphenyl)methoxy]ethyl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]guanidine;hydroiodide
CID 109405016
1-ethyl-2-(naphthalen-1-ylmethyl)-3-[1-(oxolan-3-ylmethyl)piperidin-4-yl]guanidine;hydroiodide
CID 111978435
1-ethyl-3-(1-propylpiperidin-4-yl)-2-(quinolin-4-ylmethyl)guanidine;hydroiodide
CID 111968268
1-(1-benzylpiperidin-4-yl)-2-[(2-ethoxy-3-pyridinyl)methyl]-3-ethylguanidine;hydroiodide
CID 110985417
1-cyclobutyl-2-methyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]guanidine;hydroiodide
CID 119153797

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(naphthalen-1-ylmethyl)-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]guanidine?
The IUPAC name of 1-ethyl-2-(naphthalen-1-ylmethyl)-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]guanidine (CID 111978008) is 1-ethyl-2-(naphthalen-1-ylmethyl)-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]guanidine.
What is the SMILES notation for 1-ethyl-2-(naphthalen-1-ylmethyl)-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]guanidine?
The canonical SMILES for 1-ethyl-2-(naphthalen-1-ylmethyl)-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]guanidine is CCN/C(=N\Cc1cccc2ccccc12)NC1CCN(Cc2ccccn2)CC1.
What is the InChIKey of 1-ethyl-2-(naphthalen-1-ylmethyl)-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]guanidine?
The InChIKey is ISGRXDQLNBSKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5/c1-2-26-25(28-18-21-10-7-9-20-8-3-4-12-24(20)21)29-22-13-16-30(17-14-22)19-23-11-5-6-15-27-23/h3-12,15,22H,2,13-14,16-19H2,1H3,(H2,26,28,29).
What are the key properties of 1-ethyl-2-(naphthalen-1-ylmethyl)-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]guanidine?
1-ethyl-2-(naphthalen-1-ylmethyl)-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]guanidine has a molecular weight of 401.56 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(naphthalen-1-ylmethyl)-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]guanidine is sourced from PubChem (CID 111978008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).