1-(2-ethylbutyl)-2-methyl-3-(1-phenylpiperidin-4-yl)guanidine

C19H32N4 — CID 111993567

IUPAC1-(2-ethylbutyl)-2-methyl-3-(1-phenylpiperidin-4-yl)guanidine
SMILESCCC(CC)CN/C(=N\C)NC1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H32N4/c1-4-16(5-2)15-21-19(20-3)22-17-11-13-23(14-12-17)18-9-7-6-8-10-18/h6-10,16-17H,4-5,11-15H2,1-3H3,(H2,20,21,22)
InChIKeyFRWCTIRWOCJBOH-UHFFFAOYSA-N
MW316.49 g/mol
LogP3.26
Rot. Bonds6

About 1-(2-ethylbutyl)-2-methyl-3-(1-phenylpiperidin-4-yl)guanidine

1-(2-ethylbutyl)-2-methyl-3-(1-phenylpiperidin-4-yl)guanidine (PubChem CID 111993567) has the molecular formula C19H32N4 and a molecular weight of 316.49 g/mol. Its IUPAC name is 1-(2-ethylbutyl)-2-methyl-3-(1-phenylpiperidin-4-yl)guanidine.

Molecular Properties

Compound Name1-(2-ethylbutyl)-2-methyl-3-(1-phenylpiperidin-4-yl)guanidine
PubChem CID111993567
Molecular FormulaC19H32N4
Molecular Weight316.49 g/mol
Exact Mass316.26
IUPAC Name1-(2-ethylbutyl)-2-methyl-3-(1-phenylpiperidin-4-yl)guanidine
SMILESCCC(CC)CN/C(=N\C)NC1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H32N4/c1-4-16(5-2)15-21-19(20-3)22-17-11-13-23(14-12-17)18-9-7-6-8-10-18/h6-10,16-17H,4-5,11-15H2,1-3H3,(H2,20,21,22)
InChIKeyFRWCTIRWOCJBOH-UHFFFAOYSA-N
XLogP3.26
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 53.26
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-[cyclopropyl(methyl)amino]propyl]-2-methyl-3-(1-phenylpyrrolidin-3-yl)guanidine;hydroiodide
CID 111910584
1-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-2-methyl-3-(1-phenylpiperidin-4-yl)guanidine
CID 119156125
1-(2-ethylbutyl)-2-methyl-3-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]guanidine;hydroiodide
CID 111994382
2-methyl-1-[(1-methylpyrrol-2-yl)methyl]-3-(1-phenylpiperidin-4-yl)guanidine
CID 119155049
2-methyl-1-(3-methylbutyl)-3-(1-phenylpyrrolidin-3-yl)guanidine
CID 111910773
1-(1-cyclopentylpiperidin-4-yl)-3-(2-ethylbutyl)-2-methylguanidine
CID 111992501
2-methyl-1-[2-(4-methylpiperazin-1-yl)propyl]-3-(1-phenylpyrrolidin-3-yl)guanidine;hydroiodide
CID 111910518
2-methyl-1-(2-morpholin-4-yl-2-phenylethyl)-3-(1-phenylpyrrolidin-3-yl)guanidine
CID 111909967
2-methyl-1-(1-phenylpyrrolidin-3-yl)-3-prop-2-ynylguanidine
CID 111910545
2-methyl-1-(2-methyl-3-pyrazol-1-ylpropyl)-3-(1-phenylpyrrolidin-3-yl)guanidine;hydroiodide
CID 111909754
1-[1-(3,5-dimethoxyphenyl)piperidin-4-yl]-2-methyl-3-(2-pyrrolidin-1-ylbutyl)guanidine;hydroiodide
CID 109387710
1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-methyl-3-(1-phenylpiperidin-4-yl)guanidine;hydroiodide
CID 111978135

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylbutyl)-2-methyl-3-(1-phenylpiperidin-4-yl)guanidine?
The IUPAC name of 1-(2-ethylbutyl)-2-methyl-3-(1-phenylpiperidin-4-yl)guanidine (CID 111993567) is 1-(2-ethylbutyl)-2-methyl-3-(1-phenylpiperidin-4-yl)guanidine.
What is the SMILES notation for 1-(2-ethylbutyl)-2-methyl-3-(1-phenylpiperidin-4-yl)guanidine?
The canonical SMILES for 1-(2-ethylbutyl)-2-methyl-3-(1-phenylpiperidin-4-yl)guanidine is CCC(CC)CN/C(=N\C)NC1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-(2-ethylbutyl)-2-methyl-3-(1-phenylpiperidin-4-yl)guanidine?
The InChIKey is FRWCTIRWOCJBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4/c1-4-16(5-2)15-21-19(20-3)22-17-11-13-23(14-12-17)18-9-7-6-8-10-18/h6-10,16-17H,4-5,11-15H2,1-3H3,(H2,20,21,22).
What are the key properties of 1-(2-ethylbutyl)-2-methyl-3-(1-phenylpiperidin-4-yl)guanidine?
1-(2-ethylbutyl)-2-methyl-3-(1-phenylpiperidin-4-yl)guanidine has a molecular weight of 316.49 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylbutyl)-2-methyl-3-(1-phenylpiperidin-4-yl)guanidine is sourced from PubChem (CID 111993567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).