1-[2-(furan-2-yl)ethyl]-2-methyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]guanidine;hydroiodide

C19H28IN5O — CID 110054443

IUPAC1-[2-(furan-2-yl)ethyl]-2-methyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]guanidine;hydroiodide
SMILESC/N=C(\NCCc1ccco1)NC1CCN(Cc2ccccn2)CC1.I
InChIInChI=1S/C19H27N5O.HI/c1-20-19(22-11-7-18-6-4-14-25-18)23-16-8-12-24(13-9-16)15-17-5-2-3-10-21-17;/h2-6,10,14,16H,7-9,11-13,15H2,1H3,(H2,20,22,23);1H
InChIKeyRJVRUQDHONJWKJ-UHFFFAOYSA-N
MW469.37 g/mol
LogP2.66
Rot. Bonds6

About 1-[2-(furan-2-yl)ethyl]-2-methyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]guanidine;hydroiodide

1-[2-(furan-2-yl)ethyl]-2-methyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]guanidine;hydroiodide (PubChem CID 110054443) has the molecular formula C19H28IN5O and a molecular weight of 469.37 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)ethyl]-2-methyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-[2-(furan-2-yl)ethyl]-2-methyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]guanidine;hydroiodide
PubChem CID110054443
Molecular FormulaC19H28IN5O
Molecular Weight469.37 g/mol
Exact Mass469.13
IUPAC Name1-[2-(furan-2-yl)ethyl]-2-methyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]guanidine;hydroiodide
SMILESC/N=C(\NCCc1ccco1)NC1CCN(Cc2ccccn2)CC1.I
InChIInChI=1S/C19H27N5O.HI/c1-20-19(22-11-7-18-6-4-14-25-18)23-16-8-12-24(13-9-16)15-17-5-2-3-10-21-17;/h2-6,10,14,16H,7-9,11-13,15H2,1H3,(H2,20,22,23);1H
InChIKeyRJVRUQDHONJWKJ-UHFFFAOYSA-N
XLogP2.66
TPSA65.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.37
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-(cyclohexylmethyl)-1-[2-(furan-2-yl)ethyl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]guanidine;hydroiodide
CID 110054457
1-[2-(furan-2-yl)ethyl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-2-(thiophen-2-ylmethyl)guanidine
CID 110054448
1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine;hydroiodide
CID 110054053
1-cyclobutyl-2-methyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]guanidine;hydroiodide
CID 119153797
1-[2-(furan-2-yl)ethyl]-3-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylguanidine;hydroiodide
CID 110055087
1-cyclopentyl-3-[2-(furan-2-yl)ethyl]-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 111494009
2-methyl-1-[2-[4-(2-methylpropoxy)phenyl]ethyl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]guanidine;hydroiodide
CID 111992000
1-cyclopropyl-2-methyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 110933648
1-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine;hydroiodide
CID 110054867
1-cyclohexyl-2-methyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 110957791
2-benzyl-1-(1-benzylpiperidin-4-yl)-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
CID 110954221
1-[2-(furan-2-yl)ethyl]-2-(2-methylpropyl)-3-(1-pyridin-2-ylpiperidin-4-yl)guanidine
CID 110054786

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)ethyl]-2-methyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]guanidine;hydroiodide?
The IUPAC name of 1-[2-(furan-2-yl)ethyl]-2-methyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]guanidine;hydroiodide (CID 110054443) is 1-[2-(furan-2-yl)ethyl]-2-methyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]guanidine;hydroiodide.
What is the SMILES notation for 1-[2-(furan-2-yl)ethyl]-2-methyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]guanidine;hydroiodide?
The canonical SMILES for 1-[2-(furan-2-yl)ethyl]-2-methyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]guanidine;hydroiodide is C/N=C(\NCCc1ccco1)NC1CCN(Cc2ccccn2)CC1.I.
What is the InChIKey of 1-[2-(furan-2-yl)ethyl]-2-methyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]guanidine;hydroiodide?
The InChIKey is RJVRUQDHONJWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O.HI/c1-20-19(22-11-7-18-6-4-14-25-18)23-16-8-12-24(13-9-16)15-17-5-2-3-10-21-17;/h2-6,10,14,16H,7-9,11-13,15H2,1H3,(H2,20,22,23);1H.
What are the key properties of 1-[2-(furan-2-yl)ethyl]-2-methyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]guanidine;hydroiodide?
1-[2-(furan-2-yl)ethyl]-2-methyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]guanidine;hydroiodide has a molecular weight of 469.37 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-2-yl)ethyl]-2-methyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]guanidine;hydroiodide is sourced from PubChem (CID 110054443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).